# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-19T09:57:33+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 17 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1518960","9.8293","0.0004","10.383","0.0006","24.9908","0.0013","84.684","0.004","81.333","0.004","71.773","0.004","2392.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid and 4,4'-Bipyridine complex","2-{[3-(Trifluoromethyl)phenyl]amino}benzoic acid and4,4'bipyridine complex","","- C57 H42 F9 N6 O6 -","- C57 H42 F9 N6 O6 -","- C114 H84 F18 N12 O12 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.1378","0.0692","","","0.1617","0.2055","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518961","7.3086","0.0003","8.6692","0.0004","13.632","0.0005","106.135","0.004","99.428","0.004","98.758","0.004","800.46","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","mefenamic acid and 4,4'-Bipyridine complex","2-(2,3-dimethylphenyl)aminobenzoic acid and 4,4'bipyridine complex","","- C20 H19 N2 O2 -","- C20 H19 N2 O2 -","- C40 H38 N4 O4 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0769","0.0485","","","0.1008","0.1137","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518962","4.7081","0.0002","45.2195","0.0014","7.9188","0.0003","90","","106.896","0.005","90","","1613.12","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolfenamic acid and 4,4'-Bipyridine complex","2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex","","- C19 H16 Cl N2 O2 -","- C19 H16 Cl N2 O2 -","- C76 H64 Cl4 N8 O8 -","4","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0758","0.052","","","0.0971","0.1053","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519444","13.488","0.002","9.6611","0.0015","9.3604","0.0013","90","","90.183","0.005","90","","1219.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1147","0.0729","","","0.1936","0.2468","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519445","25.8998","0.0013","5.5463","0.0003","8.3187","0.0004","90","","95.876","0.004","90","","1188.69","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0772","0.0605","","","0.148","0.1587","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519446","10.2114","0.0002","30.3315","0.0007","8.2353","0.0002","90","","110.193","0.001","90","","2393.92","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","2","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0532","0.0398","","","0.1031","0.1117","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519448","9.736","0.0006","9.8752","0.0006","26.1543","0.0016","92.856","0.004","100.295","0.004","91.291","0.004","2469.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","4","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1473","0.0559","","","0.1223","0.16","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519449","10.6217","0.0016","14.442","0.002","8.2589","0.0012","90","","109.623","0.005","90","","1193.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinic acid-(1-phenyl-ethylidenehydrazide)","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0934","0.0532","","","0.1078","0.1241","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519665","8.066","0.002","11.397","0.002","19.555","0.004","74.776","0.009","80.442","0.009","85.17","0.009","1708.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0657","0.05","","","0.1211","0.1368","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519666","25.2378","0.0011","8.6872","0.0004","18.8139","0.0008","90","","130.447","0.005","90","","3139.1","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N2 O20 S2 -","- C26 H18 Co3 N2 O20 S2 -","- C104 H72 Co12 N8 O80 S8 -","4","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0626","0.0522","","","0.1165","0.1246","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519667","7.6877","0.0003","24.3258","0.0009","18.1655","0.0008","90","","94.185","0.001","90","","3388.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Co3 N8 O32 S2 -","- C56 H66 Co3 N8 O28 S2 -","- C112 H132 Co6 N16 O56 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0489","0.0393","","","0.0967","0.1009","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519668","9.4916","0.0005","9.5694","0.0005","10.5062","0.0005","105.776","0.001","109.863","0.001","94.71","0.001","847.49","0.08","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0424","0.0352","","","0.0956","0.1146","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519669","10.118","0.005","13.926","0.005","19.699","0.005","90","","90.537","0.005","90","","2775.5","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Co2 N8 O22 S2 -","- C56 H56 Co2 N8 O22 S2 -","- C112 H112 Co4 N16 O44 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0639","0.0479","","","0.1158","0.1247","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519670","10.5832","0.0005","15.6631","0.0006","9.8457","0.0005","90","","96.447","0.005","90","","1621.76","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,5-Dihydro-1-1H-pyrrol-1-yl)-3-iodoprop-2-yn-1-one","","- C7 H6 I N O -","- C7 H6 I N O -","- C56 H48 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0449","0.0342","","","0.078","0.0843","","","","","","1.029","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519671","10.344","0.0003","15.8341","0.0005","10.4832","0.0004","90","","95.996","0.003","90","","1707.63","0.1","179.95","0.1","179.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodo-1-(pyrrolidin-1-yl)prop-2-yn-1-one","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.053","0.0336","","","0.0571","0.068","","","","","","1.03","","","","has coordinates,has disorder","143412","2020-10-21","18:00:00",""
"1519672","9.1784","0.0003","8.6829","0.0003","11.5199","0.0004","90","","92.699","0.003","90","","917.06","0.05","150.1","0.5","150.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one","","- C8 H10 I N O -","- C8 H10 I N O -","- C32 H40 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.0348","0.0252","","","0.0423","0.0462","","","","","","1.046","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519673","8.7638","0.0003","8.591","0.0003","11.4989","0.0004","90","","101.488","0.004","90","","848.41","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(morpholin-4-yl)prop-2-yn-1-one","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C28 H32 I4 N4 O8 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.71073","MoKα","","0.0318","0.0241","","","0.0457","0.0497","","","","","","1.033","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519674","10.812","0.0004","8.1725","0.0002","9.279","0.0003","90","","102.202","0.004","90","","801.38","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodopropiolamide acetonitrile complex","","- C5 H5 I N2 O -","- C5 H5 I N2 O -","- C20 H20 I4 N8 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0314","0.0242","","","0.0484","0.0532","","","","","","1.041","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520076","12.828","0.0006","25.0953","0.0011","21.3666","0.0009","90","","131.748","0.001","90","","5131.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0587","0.0384","","","0.0842","0.093","","","","","","1.032","","","","has coordinates","173731","2020-10-21","18:00:00",""
"1520077","12.9112","0.0009","25.0981","0.0018","21.0634","0.0014","90","","131.739","0.001","90","","5093.1","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0723","0.0464","","","0.0924","0.1062","","","","","","1.001","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520078","12.99","0.0008","25.155","0.0014","21.7332","0.0014","90","","131.733","0.002","90","","5299.6","0.6","353","","353","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.1045","0.0503","","","0.1123","0.1385","","","","","","1.011","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520079","17.1017","0.0013","13.7034","0.0008","10.0254","0.0011","90","","105.429","0.011","90","","2264.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H0.25 O13 Zn3 -","- C12 H4 O13 Zn3 -","- C48 H16 O52 Zn12 -","4","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.7107","MoKα","","0.0731","0.0604","","","0.1414","0.1478","","","","","","1.121","","","","has coordinates","143432","2020-10-21","18:00:00",""
"1520080","12.6947","0.0008","12.8242","0.0006","14.7971","0.0007","85.11","0.004","65.988","0.005","89.663","0.004","2191.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N7 O44.17 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","1","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.0708","0.0581","","","0.1542","0.1672","","","","","","1.049","","","","has coordinates,has disorder","143432","2020-10-21","18:00:00",""
"1520081","9.3468","0.0012","15.2267","0.0008","17.6517","0.0008","90","","95.599","0.008","90","","2500.2","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N2 O11 Zn1.5 -","- C17 H19 N2 O11 Zn1.5 -","- C68 H76 N8 O44 Zn6 -","4","1","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.1169","0.0875","","","0.2335","0.2587","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520118","4.7531","0.0007","15.683","0.002","14.17","0.002","90","","90.383","0.003","90","","1056.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Sinapic Acid","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0613","0.0392","","","0.1034","0.1148","","","","","","1.301","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520119","4.9109","0.0011","9.1732","0.0018","18.814","0.004","99.563","0.007","94.601","0.007","90.531","0.007","832.9","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Sinapic Acid + Nicotinamide","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C34 H36 N4 O12 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.1262","0.0536","","","0.1082","0.1322","","","","","","0.986","","","","has coordinates","143379","2020-10-21","18:00:00",""
"1520120","14.893","0.003","31.878","0.006","6.5992","0.0014","90","","95.192","0.004","90","","3120.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sinapic Acid + 4-Pyridinecarbonitrile","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0938","0.0652","","","0.1548","0.1683","","","","","","1.155","","","","has coordinates","171653","2020-10-21","18:00:00",""
"1520121","8.2922","0.0008","10.5857","0.001","14.7818","0.0015","98.274","0.002","94.315","0.002","105.62","0.002","1227.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0474","0.0393","","","0.1031","0.1089","","","","","","1.07","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520122","8.452","0.0006","10.605","0.001","14.9134","0.0013","98.535","0.003","94.47","0.003","104.13","0.003","1272.82","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0995","0.0522","","","0.1468","0.1694","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1529455","11.4763","0.0011","11.9281","0.0012","15.1054","0.0015","87.156","0.005","78.155","0.005","64.918","0.004","1831.3","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","NZ-105","efonidipine hydrochloride ethanolate","","- C36 H45 Cl N3 O8 P -","- C36 H44 Cl N3 O8 P -","- C72 H88 Cl2 N6 O16 P2 -","2","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0477","0.0433","","","0.1418","0.1533","","","","","","1.086","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530397","26.362","0.005","16.67","0.003","19.521","0.004","90","","108.29","0.03","90","","8145","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H99 Co3 Fe2 N21 O22 -","- C59 H63 Co3 Fe2 N21 O22 -","- C236 H252 Co12 Fe8 N84 O88 -","4","0.5","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1507","0.0638","","","0.1595","0.1747","","","","","","1.203","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530398","17.276","0.004","29.697","0.006","31.436","0.006","90","","98.5","0.03","90","","15951","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H164 Co6 Fe4 N42 O31 -","- C114 H126 Co6 Fe4 N42 O29 -","- C456 H504 Co24 Fe16 N168 O116 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1748","0.0742","","","0.1831","0.2116","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530399","10.187","0.002","42.792","0.009","17.083","0.003","90","","101.5","0.03","90","","7297","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Co3 Fe2 N21 O12 -","- C57 H63 Co3 Fe2 N21 O11 -","- C228 H252 Co12 Fe8 N84 O44 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1999","0.094","","","0.2726","0.3198","","","","","","0.934","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540392","5.674","0.001","7.086","0.002","9.745","0.002","90","","90","","90","","391.81","0.15","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate (1.9/0.1/1) - Alpha","","- Ba0.1 O4 Si Sr1.9 -","- Ba0.1 O4 Si Sr1.9 -","- Ba0.4 O16 Si4 Sr7.6 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540393","5.6796","0.0004","7.1386","0.0006","9.7639","0.0001","90","","90","","90","","395.87","0.04","300","2","295","1","","","","","","","","5","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate Oxynitride","","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.6 N4 O16 Si4 Sr11.4 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","0.71073","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7216036","26.3136","0.0001","26.3136","0.0001","26.3136","0.0001","90","","90","","90","","18219.7","0.12","153","2","153","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","UHM-31","","","- C34 H37 Cu3 F2 O19 -","- C18 H4.02 Cu3 F1.98 O15 -","- C288 H64.32 Cu48 F31.68 O240 -","16","0.0833333","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0668","0.0599","","","0.2127","0.2212","","","","","","1.146","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216037","10.8304","0.0001","11.9985","0.0001","15.496","0.0002","90","","95.227","0.001","90","","2005.31","0.04","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UHM-32","","","- C17 H21 Cu2 F N2 O9 -","- C17 H21 Cu2 F N2 O9 -","- C68 H84 Cu8 F4 N8 O36 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0488","0.0461","","","0.1144","0.1168","","","","","","1.026","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216038","11.8906","0.0001","11.6262","0.0001","14.501","0.0001","90","","91.671","0.001","90","","2003.8","0.03","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","UHM-33","","","- C17 H21 Cu F N2 O8 -","- C17 H21 Cu F N2 O8 -","- C68 H84 Cu4 F4 N8 O32 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0436","0.043","","","0.1095","0.1099","","","","","","1.052","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218069","8.6456","0.0016","12.31","0.002","22.758","0.004","98.677","0.002","92.478","0.002","104.114","0.002","2314","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Br2 -","- C56 H58 Br2 -","- C112 H116 Br4 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.117","0.0781","","","0.1845","0.2075","","","","","","1.064","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218070","11.1014","0.0009","11.6074","0.0009","17.9752","0.0014","101.916","0.001","105.051","0.001","92.108","0.001","2178.6","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H60 -","- C56 H60 -","- C112 H120 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.05","0.042","","","0.1075","0.1136","","","","","","1.041","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218180","14.052","0.003","10.029","0.003","18.994","0.005","90","","101.069","0.003","90","","2627","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C24 H24 Br2 F5 N5 O3 -","- C24 H24 Br2 F5 N5 O3 -","- C96 H96 Br8 F20 N20 O12 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.1993","0.0693","","","0.148","0.1801","","","","","","0.925","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218306","8.3326","0.0004","10.378","0.0005","16.5929","0.0009","87.46","0.003","77.784","0.003","74.322","0.003","1350.09","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N4 O7 -","- C28 H30 Cu N4 O7 -","- C56 H60 Cu2 N8 O14 -","2","1","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1205","0.0652","","","0.167","0.2012","","","","","","1.028","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218307","29.5458","0.0009","6.3519","0.0002","18.5588","0.0006","90","","125.32","0.002","90","","2841.88","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1121","0.0624","","","0.1577","0.1864","","","","","","1.009","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218347","7.3275","0.0005","8.5017","0.0006","13.4868","0.0009","84.83","0.006","86.312","0.006","74.381","0.006","805.16","0.1","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0692","0.0643","","","0.175","0.1783","","","","","","1.123","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218348","9.2353","0.0004","9.5741","0.0004","15.2398","0.0007","92.225","0.004","94.475","0.004","92.593","0.004","1340.8","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0617","0.0666","","","","","","1.016","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218349","23.6028","0.0006","25.1893","0.0008","7.6207","0.0002","90","","90","","90","","4530.8","0.2","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H36 I6 N4 -","- C18 H36 I6 N4 -","- C108 H216 I36 N24 -","6","0.75","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0886","0.0543","","","0.0878","0.1011","","","","","","1.119","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218351","8.1603","0.0006","9.2796","0.0008","11.8828","0.0005","96.851","0.005","90.584","0.005","111.27","0.007","831.14","0.11","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0512","0.0442","","","0.1093","0.1167","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218353","8.8468","0.0005","9.2378","0.0004","13.5621","0.0008","102.188","0.003","92.217","0.002","106.349","0.003","1033.87","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0514","0.0408","","","0.0737","0.078","","","","","","1.129","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218407","17.5227","0.0016","11.7243","0.001","16.7131","0.0015","90","","112.255","0.002","90","","3177.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N3 O10 U2 -","- C8 H10 N3 O10 U2 -","- C64 H80 N24 O80 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0845","0.0609","","","0.1731","0.185","","","","","","1.049","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218408","7.9487","0.0005","19.0021","0.0011","10.5863","0.0006","90","","95.645","0.001","90","","1591.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0461","0.0285","","","0.0533","0.0581","","","","","","0.989","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218409","7.2325","0.0016","16.469","0.004","17.315","0.004","90","","100.814","0.003","90","","2025.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O10.5 U2 -","- C2 H7 N O10.5 U2 -","- C16 H56 N8 O84 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0871","0.0505","","","0.0939","0.1081","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218420","26.51","0.003","26.51","0.003","26.51","0.003","90","","90","","90","","18631","4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","DUT-6-boron","DUT-6","","- C121.5 H206.5 B1.33 N15.5 O28.5 Zn4 -","- C44 H36 B1.33333 O13 Zn4 -","- C264 H216 B8 O78 Zn24 -","6","0.125","","Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker","CrystEngComm","2015","17","2","307","","10.1039/C4CE01400F","","x-ray","0.88561","synchrotron","","0.1383","0.1167","","","0.3529","0.3864","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218434","7.563","0.006","8.34","0.007","9.721","0.006","68.15","0.03","79.933","0.015","63.506","0.009","509.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0637","0.0615","","","0.1737","0.1754","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218435","12.584","0.002","11.4846","0.0019","15.765","0.003","90","","101.664","0.002","90","","2231.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N12 O3 -","- C20 H20 Cd N12 O3 -","- C80 H80 Cd4 N48 O12 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0447","0.0321","","","0.0721","0.0785","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218436","7.784","0.004","13.039","0.006","11.761","0.005","90","","93.106","0.006","90","","1191.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cd N12 O4 -","- C20 H22 Cd N12 O4 -","- C40 H44 Cd2 N24 O8 -","2","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1225","0.1051","","","0.3042","0.3133","","","","","","1.041","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218437","13.27","0.004","13.217","0.004","6.92","0.002","90","","100.561","0.003","90","","1193.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cd Cl N6 O -","- C10 H9 Cd Cl N6 O -","- C40 H36 Cd4 Cl4 N24 O4 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0425","0.0392","","","0.1108","0.1127","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218438","9.7741","0.0008","7.3309","0.0006","16.1973","0.0014","90","","105.005","0.001","90","","1121.01","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd Cl N6 -","- C10 H7 Cd Cl N6 -","- C40 H28 Cd4 Cl4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0199","0.0178","","","0.0438","0.0449","","","","","","1.06","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218439","4.268","0.003","8.108","0.005","17.578","0.011","95.734","0.009","94.064","0.008","103.239","0.008","586.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1699","0.0672","","","0.1154","0.1439","","","","","","1.017","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218440","9.8675","0.0015","7.7516","0.0013","17.034","0.003","90","","107.209","0.002","90","","1244.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd I N6 -","- C10 H7 Cd I N6 -","- C40 H28 Cd4 I4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0268","0.0231","","","0.062","0.0643","","","","","","1.001","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218471","11.622","0.005","22.213","0.005","11.896","0.005","90","0.005","112.738","0.005","90","0.005","2832.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N6 O44 Si W12 -","- C30 H24 Cu2 N6 O44 Si W12 -","- C60 H48 Cu4 N12 O88 Si2 W24 -","2","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.1126","0.0943","","","0.2013","0.2108","","","","","","1.21","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218472","16.044","0.005","21.276","0.005","11.001","0.005","90","0.005","110.46","0.005","90","0.005","3518","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H20 Cu N6 O46 Si W12 -","- C48 H20 Cu N6 O46 Si W12 -","- C96 H40 Cu2 N12 O92 Si2 W24 -","2","0.25","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.0573","0.0423","","","0.1203","0.1424","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218473","24.737","0.005","10.601","0.005","20.038","0.005","90","0.005","99.405","0.005","90","0.005","5184","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N8 O42 Si W12 -","- C24 H20 Cu N8 O42 Si W12 -","- C96 H80 Cu4 N32 O168 Si4 W48 -","4","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.055","0.0455","","","0.1095","0.1163","","","","","","1.133","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218476","11.5706","0.0004","15.5144","0.0005","16.0571","0.0006","90","","90","","90","","2882.42","0.17","150","2","150","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide","","- C22 H23 F8 I3 O2 S -","- C22 H23 F8 I3 O2 S -","- C88 H92 F32 I12 O8 S4 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1416","0.1641","","","","","","1.134","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218524","12.7505","0.0005","18.627","0.0008","20.5062","0.0005","85.451","0.003","86.386","0.003","72.095","0.004","4616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77.61 Cd3 Cl6 N21 O1.87 -","- C99 H77.6121 Cd3 Cl6 N21 O1.8707 -","- C198 H155.224 Cd6 Cl12 N42 O3.7414 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","1.54178","CuKα","","0.0556","0.047","","","0.1235","0.1344","","","","","","1.045","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218525","33.9556","0.0012","12.561","0.0005","25.2278","0.0008","90","","123.31","0.001","90","","8992.3","0.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cd Cl2 N10 O -","- C48 H36 Cd Cl2 N10 O -","- C384 H288 Cd8 Cl16 N80 O8 -","8","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","x-ray","0.71073","MoKα","","0.0542","0.0379","","","0.1178","0.1293","","","","","","1.052","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7218526","15.7677","0.0007","18.5983","0.0008","21.5286","0.0012","115.511","0.001","90.072","0.002","114.366","0.001","5065.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 Cd3 Cl6 N20 -","- C96 H68 Cd3 Cl6 N20 -","- C192 H136 Cd6 Cl12 N40 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","0.71073","MoKα","","0.1389","0.0663","","","0.1872","0.2389","","","","","","0.834","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S‒I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218557","14.5118","0.0003","12.1374","0.0002","7.54977","0.00011","90","","91.1131","0.001","90","","1329.53","0.04","298","2","298","","","","100","","","","LASSBio","5","P 1 21/c 1","-P 2ybc","14","LASSBio-1289","(E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan","Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative","CrystEngComm","2015","17","1","165","","10.1039/C4CE02011A","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0062","1.161","","","","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218560","9.072","0.0018","13.14","0.003","30.7","0.006","92.72","0.03","90.2","0.03","90.01","0.03","3655.5","1.3","293","1","100","","","","","","","","","5","P -1","-P 1","2","Y85","","","- C70 H78 Cd2 N14 O16 -","- C70 H78 Cd2 N14 O16 -","- C140 H156 Cd4 N28 O32 -","2","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","Synchrotron","","0.0953","0.0872","","","0.2533","0.2594","","","","","","1.158","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218561","15.5064","0.001","11.7116","0.0008","29.7359","0.0019","90","","103.601","0.0012","90","","5248.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd N3 O6 -","- C24 H16 Cd N2 O5 -","- C192 H128 Cd8 N16 O40 -","8","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","MoKα","","0.0569","0.0334","","","0.0647","0.0682","","","","","","0.998","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218580","16.381","0.003","14.17","0.003","19.415","0.004","90","","104.25","0.03","90","","4367.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N8 O9 Zn -","- C30.4 H29.2 N5.8 O6.8 Zn -","- C121.6 H116.8 N23.2 O27.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1336","0.0905","","","0.245","0.2956","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218581","14.529","0.002","16.543","0.002","21.125","0.003","90","","104.305","0.009","90","","4920","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 N9 O10 Zn -","- C26.9 H18 N5.3 O6.3 Zn -","- C107.6 H72 N21.2 O25.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1688","0.1026","","","0.2844","0.3282","","","","","","1.098","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218582","15.1431","0.0006","15.2322","0.0006","16.0597","0.0004","98.484","0.002","102.682","0.002","104.206","0.003","3423.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H67 N9 O15 Zn2 -","- C44.4 H25 N4.8 O10.8 Zn2 -","- C88.8 H50 N9.6 O21.6 Zn4 -","2","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.0759","0.0662","","","0.2062","0.2157","","","","","","1.062","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218583","19.722","0.0005","28.0588","0.0006","28.0835","0.0004","90","","94.423","0.002","90","","15494.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N12 O18 Zn2 -","- C42.25 H26 N4.75 O10.75 Zn2 -","- C338 H208 N38 O86 Zn16 -","8","2","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1393","0.0812","","","0.248","0.2952","","","","","","1.054","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218604","14.462","0.002","15.486","0.003","7.4899","0.0012","90","","96.971","0.003","90","","1665","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H11 Co N3 O8 -","- C14 H9 Co N3 O8 -","- C56 H36 Co4 N12 O32 -","4","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0897","0.0642","","","0.1755","0.194","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218605","5.8488","0.0013","16.227","0.004","13.164","0.003","90","","91.507","0.003","90","","1248.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C48 H32 Cu4 N8 O28 -","4","1","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0656","0.0408","","","0.1228","0.1756","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218606","9.3276","0.001","11.9664","0.0013","19.099","0.002","90","","92.947","0.002","90","","2129","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cu2 N8 O12 -","- C48 H28 Cu2 N8 O12 -","- C96 H56 Cu4 N16 O24 -","2","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0659","0.041","","","0.0877","0.0978","","","","","","1.002","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218607","9.213","0.002","12.19","0.003","12.635","0.003","109.362","0.004","109.077","0.004","91.212","0.004","1251.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0538","0.045","","","0.133","0.1567","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218608","9.357","0.004","11.325","0.005","12.54","0.005","64.338","0.006","69.757","0.006","75.003","0.006","1114.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0741","0.0559","","","0.1643","0.2373","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218609","18.562","0.0011","3.732","0.0002","18.568","0.0012","90","","93.993","0.006","90","","1283.15","0.13","101.15","0.1","101.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.072612","0.051566","","","","0.134828","","","","","","1.07268","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218610","6.2436","0.0009","8.4577","0.0012","12.3655","0.0017","90","","100.198","0.015","90","","642.66","0.16","102.45","0.1","102.45","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.069918","0.056788","","","","0.168259","","","","","","1.05859","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218646","11.082","0.002","9.182","0.001","16.959","0.002","90","","92.36","0.01","90","","1724.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H20.4 La O13.2 -","- C9 H15 La O13.2 -","- C36 H60 La4 O52.8 -","4","1","","Michaelides, Adonis; Aravia, Maria; Siskos, Michael G.; Skoulika, Stavroula","Photochemical reactivity of a lamellar lanthanum MOF","CrystEngComm","2015","17","1","124","","10.1039/C4CE01396D","","","0.71073","MoKα","","0.054","0.0407","","","0.0996","0.1077","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218674","17.001","0.0019","19.633","0.002","23.109","0.004","90","","90","","90","","7713.3","1.8","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H15 Mn N3 O5 -","- C12 H6 Mn N2 O4 -","- C192 H96 Mn16 N32 O64 -","16","0.5","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.1079","0.075","","","0.2098","0.2325","","","","","","1.105","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218676","11.9082","0.001","8.3277","0.0007","12.7165","0.0011","90","","97.361","0.002","90","","1250.68","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N2 O6 -","- C12 H8 Co N2 O6 -","- C48 H32 Co4 N8 O24 -","4","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.0278","0.0264","","","0.0714","0.0724","","","","","","1.095","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218703","11.629","0.004","17.902","0.005","12.38","0.004","90","","109.051","0.006","90","","2436.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0458","0.039","","","0.1292","0.1428","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218705","10.056","0.002","10.955","0.002","11.676","0.002","113","0.03","97.99","0.03","92.39","0.03","1166","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cd Cl N3 O4 -","- C25 H20 Cd Cl N3 O4 -","- C50 H40 Cd2 Cl2 N6 O8 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0282","0.0236","","","0.051","0.0531","","","","","","1.055","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218706","20.66","0.004","20.899","0.004","18.58","0.004","90","","102.46","0.03","90","","7833","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H138 Cd4 N20 O33 -","- C164 H138 Cd4 N20 O33 -","- C328 H276 Cd8 N40 O66 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0616","0.0354","","","0.0775","0.092","","","","","","1.016","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218707","9.809","0.002","15.607","0.003","16.604","0.003","81.76","0.03","88.16","0.03","72.57","0.03","2400","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 Cd N6 O9 -","- C51 H40 Cd N6 O9 -","- C102 H80 Cd2 N12 O18 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.037","0.0339","","","0.1049","0.108","","","","","","1.08","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218708","9.976","0.002","10.462","0.002","10.933","0.002","81.98","0.03","67.17","0.03","84.87","0.03","1040.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N3 O5 -","- C23 H16 Cd N3 O5 -","- C46 H32 Cd2 N6 O10 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0187","0.0177","","","0.0479","0.0488","","","","","","1.067","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218709","9.82","0.002","11.519","0.002","16.954","0.003","101.25","0.03","97.92","0.03","96.46","0.03","1843.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N5 O7 -","- C41 H32 Cd N5 O7 -","- C82 H64 Cd2 N10 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0548","0.0421","","","0.1017","0.1155","","","","","","1.065","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218710","12.458","0.003","13.915","0.003","14.341","0.003","74.555","0.003","85.531","0.003","89.871","0.002","2388.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 H40 Mo10 O56 Sm2 -","- Co2 Mo10 O56 Sm2 -","- Co4 Mo20 O112 Sm4 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0478","0.0384","","","0.0981","0.1039","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218711","12.36","0.004","13.803","0.004","14.183","0.004","74.436","0.005","85.442","0.005","89.734","0.005","2323.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 Eu2 H40 Mo10 O56 -","- Co2 Eu2 Mo10 O56 -","- Co4 Eu4 Mo20 O112 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.1363","0.0977","","","0.2268","0.2496","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218714","13.78516","0.00008","14.11066","0.00008","15.45815","0.00009","90","","101.358","0.0005","90","","2948","0.03","120","2","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1","","- C34 H28 N6 O3 Zn -","- C34 H28 N6 O3 Zn -","- C136 H112 N24 O12 Zn4 -","4","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0391","0.039","","","0.1064","0.1064","","","","","","1.091","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218717","5.2497","0.0003","49.977","0.002","7.6897","0.0005","90","","104.573","0.006","90","","1952.6","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melatoninpimelic acid cocrystal","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Thermodynamics and preliminary pharmaceutical characterization of a melatonin‒pimelic acid cocrystal prepared by a melt crystallization method","CrystEngComm","2015","17","3","612","","10.1039/C4CE01921K","","","1.54184","CuKα","","0.0623","0.0498","","","0.116","0.1225","","","","","","1.123","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218742","6.2212","0.0003","6.4416","0.0003","12.32","0.0006","96.924","0.004","103.818","0.004","97.07","0.004","469.99","0.04","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C14 H4 S12 -","1","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0937","0.0418","","","0.0797","0.0942","","","","","","0.928","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218744","11.955","0.002","5.8261","0.001","29.396","0.005","90","","90.861","0.002","90","","2047.2","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BEDT-TTP","","","- C14 H8 S12 -","- C14 H8 S12 -","- C56 H32 S48 -","4","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0663","0.0536","","","0.1305","0.1361","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218745","6.4227","0.0004","9.4246","0.0005","16.9326","0.0009","83.89","0.003","81.735","0.003","70.108","0.003","951.97","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","EMDT-TTP","","","- C13 H6 S12 -","- C13 H6 S12 -","- C26 H12 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71069","MoKα","","0.0797","0.0572","","","0.1241","0.1336","","","","","","0.906","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218746","6.4572","0.0001","19.2326","0.0002","24.0962","0.0002","90","","97.446","0.001","90","","2967.24","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S12 -","- C14 H6 S12 -","- C84 H36 S72 -","6","1.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0717","0.0377","","","0.0836","0.0908","","","","","","0.909","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218757","8.241","0.002","9.61","0.003","9.79","0.003","87.334","0.009","71.536","0.008","84.334","0.009","731.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C34 H32 N4 S2 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0484","0.0387","","","0.0847","0.0884","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218758","9.1048","0.0019","7.4536","0.0015","23.795","0.005","90","","95.952","0.004","90","","1606.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.059","0.0495","","","0.115","0.1218","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218760","8.7434","0.0013","13.538","0.002","17.321","0.003","88.079","0.005","84.857","0.005","77.108","0.005","1990.3","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","2","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0844","0.0599","","","0.1246","0.1395","","","","","","0.999","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218761","5.9789","0.0015","7.3765","0.0018","43.952","0.011","90","","91.422","0.004","90","","1937.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0993","0.0892","","","0.2023","0.2094","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218771","10.11","0.002","10.525","0.002","12.221","0.002","77.69","0.03","81.26","0.03","82.69","0.03","1249.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid (bis) caffeine co-crystal","","- C24 H28 N8 O8 -","- C24 H28 N8 O8 -","- C48 H56 N16 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0782","0.0542","","","0.1448","0.1605","","","","","","1.033","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218772","11.2741","0.0006","15.7712","0.001","13.3746","0.0008","90","","90.572","0.002","90","","2378","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(bis) vanillic acid theophylline co-crystal","","- C23 H23 N4 O10 -","- C23 H23 N4 O10 -","- C92 H92 N16 O40 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0653","0.047","","","0.1195","0.1299","","","","","","1.047","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218773","8.2148","0.0016","8.2504","0.0017","13.132","0.003","102.82","0.03","97.46","0.03","93.98","0.03","856","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid theobromine co-crystal dihydrate","","- C15 H20 N4 O8 -","- C15 H20 N4 O8 -","- C30 H40 N8 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0609","0.0415","","","0.1045","0.1156","","","","","","1.027","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218774","8.469","0.0017","22.621","0.005","8.9534","0.0018","90","","90.68","0.03","90","","1715.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanillic acid acridine co-crystal","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.1092","0.0511","","","0.1057","0.1276","","","","","","0.965","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218775","4.8723","0.001","8.0058","0.0016","18.018","0.004","78.85","0.03","84.5","0.03","75.62","0.03","667.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid nicotinamide co-crystal","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0678","0.0442","","","0.1042","0.1164","","","","","","1.005","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218776","7.9","0.0016","13.196","0.003","13.735","0.003","85.02","0.03","85.32","0.03","78.68","0.03","1395.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis)vanillic acid (bis)isonicotinamide dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0967","0.0511","","","0.1183","0.1414","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218777","6.9821","0.0014","10.232","0.002","15.388","0.003","99.68","0.03","95.37","0.03","103.46","0.03","1043.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis) vanillic acid (bis) urea","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0845","0.0474","","","0.1024","0.1191","","","","","","0.969","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218791","20.6425","0.0014","8.8968","0.0006","11.2958","0.001","90","","104.4","0.004","90","","2009.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C84 H72 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.09093","","1.22","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218792","22.203","0.0018","8.9419","0.0007","11.2575","0.001","90","","103.79","0.006","90","","2170.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4-(4-p-tolyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.0523","","1.4","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218793","21.5451","0.0013","10.1672","0.0007","10.6966","0.001","90","","103.713","0.005","90","","2276.3","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide","","- C23 H21 Cl N4 O4 S -","- C23 H21 Cl N4 O4 S -","- C92 H84 Cl4 N16 O16 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.13976","","1.49","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218794","9.3395","0.0003","12.6055","0.0004","16.7998","0.0006","87.865","0.002","76.551","0.002","73.18","0.002","1840.33","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Ag2 F10 N4 O7 S2 -","- C28 H24 Ag2 F10 N4 O7 S2 -","- C56 H48 Ag4 F20 N8 O14 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.085","0.0579","","","0.1534","0.1765","","","","","","1.026","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218796","11.2445","0.0004","13.1403","0.0004","13.7311","0.0005","77.007","0.002","77.419","0.002","68.795","0.002","1822.13","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Ag2 F6 N4 O6 S2 -","- C29 H28 Ag2 F6 N4 O6 S2 -","- C58 H56 Ag4 F12 N8 O12 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1116","0.0646","","","0.1774","0.2056","","","","","","1.048","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218797","22.109","0.016","18.66","0.014","18.8","0.02","90","","115.532","0.018","90","","6999","10","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 N4 O9 S2 -","- C30 H40 Ag2 N4 O9 S2 -","- C240 H320 Ag16 N32 O72 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2169","0.0866","","","0.1918","0.2564","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7218798","8.0768","0.0004","9.1756","0.0005","11.7609","0.0006","96.798","0.004","93.784","0.003","111.74","0.003","798.19","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Ag N2 O4 S -","- C15 H16 Ag N2 O4 S -","- C30 H32 Ag2 N4 O8 S2 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0603","0.0496","","","0.13","0.1375","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218799","26.2359","0.0013","9.2864","0.0005","17.9373","0.0009","90","","130.057","0.003","90","","3345","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag N2 O3 S -","- C18 H16 Ag N2 O3 S -","- C144 H128 Ag8 N16 O24 S8 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0569","0.0366","","","0.0837","0.0927","","","","","","1.057","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218800","10.775","0.003","8.596","0.002","16.451","0.005","90","","123.909","0.011","90","","1264.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag N3 O3 S -","- C11 H10 Ag N3 O3 S -","- C44 H40 Ag4 N12 O12 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1294","0.0588","","","0.1431","0.172","","","","","","0.969","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218801","13.647","0.0019","6.7053","0.0012","14.644","0.003","90","","91.048","0.009","90","","1339.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag B F4 N2 S -","- C11 H10 Ag B F4 N2 S -","- C44 H40 Ag4 B4 F16 N8 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0687","0.0495","","","0.1575","0.1699","","","","","","1.118","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218803","10.267","0.004","12.136","0.006","22.648","0.01","102.16","0.03","95.99","0.03","102.8","0.03","2656","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Ag3 N6 O9.25 S3 -","- C39 H35 Ag3 N6 O9.25 S3 -","- C78 H70 Ag6 N12 O18.5 S6 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2515","0.1096","","","0.2943","0.3996","","","","","","1.023","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218804","12.7515","0.0007","13.5858","0.0007","21.4957","0.0014","107.207","0.005","99.278","0.005","103.727","0.005","3346.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H55 N0 O37 -","- C59 H55 O36.926 -","- C118 H110 O73.852 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.096","0.084","","","0.2469","0.2611","","","","","","1.039","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218805","17.0487","0.0009","21.1862","0.0008","24.7335","0.001","76.225","0.003","80.707","0.004","85.563","0.004","8555.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H152 N6 O84 -","- C155 H155 N6 O83.906 -","- C310 H310 N12 O167.812 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.2314","0.1455","","","0.3515","0.4271","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218806","5.2426","0.0008","11.965","0.002","12.256","0.002","75.126","0.011","87.661","0.01","83.717","0.011","738.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ADI","","","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0741","0.0398","","","0.0874","0.1007","","","","","","1.006","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218807","5.0909","0.0004","5.4368","0.0005","20.3002","0.0017","88.781","0.005","83.38","0.005","86.981","0.006","557.29","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0486","0.0368","","","0.0954","0.1017","","","","","","1.054","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218808","5.063","0.0011","10.312","0.003","12.716","0.003","92.328","0.016","101.006","0.015","92.647","0.017","650.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C22 H22 N6 O14 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.1122","0.0816","","","0.2465","0.2609","","","","","","1.183","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218809","5.4495","0.0002","11.784","0.0003","12.025","0.0004","117.195","0.002","93.573","0.002","96.119","0.002","677.53","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C22 H26 N6 O16 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0516","0.0342","","","0.0774","0.0847","","","","","","1.031","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218810","11.189","0.002","6.536","0.0013","21.527","0.004","90","","102.41","0.03","90","","1537.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-methyl-benzenesulfonamide","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0683","0.0468","","","0.1523","0.1609","","","","","","1.03","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218812","11.051","0.0004","6.4458","0.0003","21.466","0.0008","90","","102.427","0.003","90","","1493.25","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-chloro-benzenesulfonamide","","- C16 H20 Cl N O2 S -","- C16 H20 Cl N O2 S -","- C64 H80 Cl4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0439","0.0361","","","0.0874","0.0924","","","","","","1.067","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218813","10.8028","0.0003","11.6083","0.0003","14.0725","0.0004","90","","95.824","0.003","90","","1755.61","0.08","100.01","0.18","100.01","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-methyl-benzenesulfonamide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0424","0.0355","","","0.094","0.0989","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218814","10.5261","0.0003","11.5499","0.0003","14.1017","0.0004","90","","97.386","0.002","90","","1700.19","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-fluoro-benzenesulfonamide","","- C18 H24 F N O2 S -","- C18 H24 F N O2 S -","- C72 H96 F4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0445","0.0356","","","0.0872","0.0925","","","","","","1.045","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218815","9.33501","0.00018","11.577","0.0002","15.7703","0.0003","90","","100.587","0.0018","90","","1675.31","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0481","0.0381","","","0.097","0.1038","","","","","","1.046","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218817","8.971","0.005","16.81","0.009","10.435","0.006","90","","108.218","0.005","90","","1494.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Mn N4 S3 Sn -","- C6 H20 Mn N4 S3 Sn -","- C24 H80 Mn4 N16 S12 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0333","0.0295","","","0.0642","0.0659","","","","","","1.059","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218854","9.496","0.0011","11.5347","0.0013","11.8048","0.0013","67.494","0.002","81.395","0.002","69.474","0.002","1118.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.62 H18.47 N2 O6.62 S2 Zn -","- C18.616 H18.464 N2 O6.616 S2 Zn -","- C37.232 H36.928 N4 O13.232 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0873","0.0713","","","0.1923","0.2036","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218855","9.6705","0.0005","11.6246","0.0006","11.7082","0.0006","66.363","0.001","82.283","0.001","68.217","0.001","1119.5","0.1","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O4 S2 Zn -","- C18 H12 N2 O4 S2 Zn -","- C36 H24 N4 O8 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0444","0.0383","","","0.107","0.1135","","","","","","1.083","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218856","9.5666","0.0004","11.54","0.0005","11.8627","0.0005","67.61","0.001","80.961","0.001","68.932","0.001","1129.64","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14.2 N2 O5.1 S2 Zn -","- C18 H14.2 N2 O5.1 S2 Zn -","- C36 H28.4 N4 O10.2 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0491","0.0463","","","0.1579","0.1604","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218862","8.5178","0.0003","14.4262","0.0006","14.9256","0.0005","90","","100.234","0.003","90","","1804.87","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N7 O3 -","- C17 H11 Cd N7 O3 -","- C68 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0504","0.034","","","0.0716","0.0759","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218863","7.6683","0.0015","8.8264","0.0018","14.996","0.003","78.42","0.03","79.89","0.03","81.62","0.03","972.4","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cd N9 O -","- C19 H13 Cd N9 O -","- C38 H26 Cd2 N18 O2 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0338","0.0278","","","0.0651","0.0683","","","","","","0.883","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218864","8.15961","0","11.21043","0","17.04066","0.00001","90","","94.4222","0.0003","90","","1554.12","0.0011","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cd N7 O3 -","- C15 H11 Cd N7 O3 -","- C60 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.033","0.0262","","","0.0547","0.0568","","","","","","1.043","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218865","9.328","0.0005","13.9183","0.0005","13.8508","0.0006","90","","109.222","0.005","90","","1698","0.14","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cd N7 O4 -","- C15 H13 Cd N7 O4 -","- C60 H52 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0339","0.0247","","","0.0592","0.0619","","","","","","1.053","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218866","7.7803","0.0004","10.2661","0.0004","10.722","0.0005","81.92","0.004","79.82","0.004","75.63","0.004","812.34","0.07","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","1","0.5","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0384","0.0318","","","0.0632","0.0663","","","","","","1.017","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218867","9.2897","0.0004","8.9304","0.0003","31.2856","0.0011","90","","97.826","0.003","90","","2571.3","0.17","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N10 O3 -","- C26 H16 Cd N10 O3 -","- C104 H64 Cd4 N40 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0746","0.0468","","","0.0948","0.098","","","","","","1.211","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218868","14.204","0.005","9.8521","0.0004","18.7354","0.0006","90","","94.64","0.03","90","","2613.2","0.9","293.5","","293.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cd N10 O4 -","- C26 H18 Cd N10 O4 -","- C104 H72 Cd4 N40 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0489","0.0334","","","0.0784","0.084","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218869","9.4767","0.0003","12.5129","0.0004","14.3126","0.0005","90","","106.191","0.004","90","","1629.89","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd N7 O4 -","- C13 H12 Cd N7 O4 -","- C52 H48 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0707","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218870","7.9227","0.0007","8.9657","0.0009","10.146","0.001","74.85","0.008","74.24","0.008","83.61","0.03","668.87","0.12","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cd N9 -","- C12 H8 Cd N9 -","- C24 H16 Cd2 N18 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0304","0.0282","","","0.064","0.0652","","","","","","1.078","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218883","11.51","0.009","12.16","0.01","13.074","0.01","109.155","0.013","111.714","0.012","96.969","0.014","1543","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.125","0.066","","","0.157","0.1943","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218884","12.328","0.0008","12.696","0.0008","13.859","0.0009","106.698","0.001","108.07","0.001","108.991","0.001","1758.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0612","0.0481","","","0.1242","0.1305","","","","","","1.049","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218885","12.31","0.0018","12.668","0.0018","13.816","0.002","106.758","0.002","108.015","0.002","108.944","0.002","1747.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.081","0.0648","","","0.1688","0.1778","","","","","","1.05","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218886","10.364","0.0005","19.986","0.001","12.851","0.0007","90","","100.055","0.001","90","","2621","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu K Mo4 N4 O17 -","- C16 H17 Cu K Mo4 N4 O17 -","- C64 H68 Cu4 K4 Mo16 N16 O68 -","4","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0852","0.0677","","","0.2045","0.2146","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218887","11.416","0.002","10.013","0.002","14.914","0.003","90","","91.44","0.03","90","","1704.3","0.6","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alfa-Magnesium formate","","- C10 H13 Mg3 O13 -","- C10 H13 Mg3 O13 -","- C40 H52 Mg12 O52 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","0.71073","MoKα","","0.1671","0.0952","","","0.1949","0.2249","","","","","","1.134","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218888","11.363","0.0005","9.895","0.0005","14.6054","0.0008","90","","91.441","0.004","90","","1641.67","0.14","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","1.54184","CuKα","","0.0553","0.0443","","","0.0993","0.1043","","","","","","1.002","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218889","13.066","0.003","20.404","0.004","9.5822","0.0019","90","","94.37","0.03","90","","2547.2","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0785","0.0704","","","0.2203","0.235","","","","","","1.1","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218891","10.362","0.002","10.649","0.002","11.096","0.002","92.16","0.03","100.28","0.03","92.65","0.03","1202.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C56 H44 Cd2 N8 O8 -","2","1","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0552","0.0473","","","0.1947","0.2257","","","","","","1.139","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218893","14.06551","0.00016","29.396","0.0003","18.4286","0.0003","90","","107.058","0.0014","90","","7284.46","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Dy2 N3 O25 -","- C78 H69 Dy2 N3 O25 -","- C312 H276 Dy8 N12 O100 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0497","0.0383","","","0.0881","0.0931","","","","","","1.09","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218903","7.3765","0.0002","7.5213","0.0003","12.1712","0.0003","97.744","0.002","92.657","0.002","110.303","0.001","624.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N6 O -","- C10 H10 Cl2 N6 O -","- C20 H20 Cl4 N12 O2 -","2","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.048","0.0364","","","0.0885","0.0958","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218904","7.4637","0.0014","11.481","0.002","13.395","0.003","95.849","0.003","98.205","0.004","93.393","0.005","1127","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","2","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71069","MoKα","","0.0496","0.0477","","","0.1253","0.1272","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218910","9.862","0.002","13.348","0.003","18.934","0.004","75.217","0.005","81.616","0.005","88.983","0.005","2383.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Co3 N7 O15 -","- C41 H44 Co3 N7 O15 -","- C82 H88 Co6 N14 O30 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1009","0.0572","","","0.1377","0.1592","","","","","","1.031","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218914","10.3943","0.0005","17.4818","0.001","15.6814","0.0008","90","","97.686","0.001","90","","2823.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 N2 O -","- C36 H28 Cl2 N2 O -","- C144 H112 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0756","0.0597","","","0.1314","0.139","","","","","","1.092","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218915","10.4238","0.0006","17.4861","0.001","15.9174","0.0008","90","","98.41","0.002","90","","2870.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl2 N2 O -","- C37 H30 Cl2 N2 O -","- C148 H120 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.1249","0.0926","","","0.1737","0.1856","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218916","10.462","0.0005","17.5011","0.0008","15.8272","0.0008","90","","95.53","0.001","90","","2884.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 N2 O2 -","- C37 H28 Cl2 N2 O2 -","- C148 H112 Cl8 N8 O8 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0561","0.0483","","","0.1292","0.1352","","","","","","1.05","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218917","13.0951","0.0006","14.1332","0.0008","19.6616","0.0009","90","","100.161","0.003","90","","3581.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co N4 O8 -","- C33 H36 Co N4 O8 -","- C132 H144 Co4 N16 O32 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1699","0.1019","","","0.2624","0.2956","","","","","","1.131","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218918","12.9014","0.0003","15.0969","0.0004","12.6756","0.0003","90","","102.381","0.002","90","","2411.42","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0841","0.0483","","","0.1016","0.1128","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218919","21.3167","0.0011","12.3112","0.0007","21.2392","0.001","90","","92.816","0.003","90","","5567.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Co N2 O5 -","- C24 H21 Co N2 O5 -","- C192 H168 Co8 N16 O40 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0903","0.0585","","","0.1315","0.1415","","","","","","1.07","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218920","13.6257","0.0007","25.2675","0.0012","16.8185","0.0008","90","","105.815","0.002","90","","5571.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Co2 N4 O19 -","- C53 H38 Co2 N4 O19 -","- C212 H152 Co8 N16 O76 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0608","0.0472","","","0.1204","0.1289","","","","","","1.022","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218921","30.8856","0.0019","17.8569","0.0011","14.1653","0.0009","90","","114.268","0.003","90","","7122.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Co F6 N4 O8 -","- C35 H34 Co F6 N4 O8 -","- C280 H272 Co8 F48 N32 O64 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1205","0.078","","","0.2016","0.2233","","","","","","1.069","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218922","10.3211","0.0002","30.3501","0.0006","10.8873","0.0002","90","","103.219","0.001","90","","3320.04","0.11","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Co N4 O9 S -","- C32 H32 Co N4 O9 S -","- C128 H128 Co4 N16 O36 S4 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1305","0.0529","","","0.0801","0.0995","","","","","","1.006","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218923","7.9","0.0002","23.1582","0.0007","8.7135","0.0002","90","","107.904","0.001","90","","1516.93","0.07","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(ethoxycarbonyl)-3-[(2-ethoxyphenyl)amino]acrylic acid","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0906","0.0527","","","0.1583","0.1918","","","","","","0.922","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218924","7.0418","0.0013","7.5275","0.0014","11.444","0.002","84.212","0.009","75.935","0.009","82.835","0.009","582.26","0.19","296","2","296","","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-(phenylamino)prop-2-enoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0692","0.0473","","","0.1314","0.1492","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218925","6.8768","0.0002","7.5092","0.0003","12.8653","0.0004","93.415","0.002","104.473","0.002","95.382","0.002","638.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-[(4-methylphenyl)amino]prop-2-enoic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0618","0.0393","","","0.0961","0.1081","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218926","7.0837","0.0002","7.4404","0.0002","12.4791","0.0004","92.127","0.002","105.123","0.002","97.607","0.002","627.59","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2E)-3-[(4-chlorophenyl)amino]-2-(ethoxycarbonyl)prop-2-enoic acid","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C24 H24 Cl2 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0722","0.0493","","","0.1426","0.1639","","","","","","1.051","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218927","11.423","0.0007","8.6148","0.0005","13.9893","0.0009","90","","112.165","0.004","90","","1274.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(ethoxycarbonyl)-3-[(3-nitrophenyl)amino]prop-2-enoic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0538","0.0391","","","0.0937","0.102","","","","","","1.033","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218928","10.77","0.0011","14.5781","0.0014","15.7165","0.0018","66.116","0.001","71.702","0.002","68.82","0.001","2062.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O Pb -","- C20 H16 N12 O Pb -","- C80 H64 N48 O4 Pb4 -","4","2","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.0775","0.0591","","","0.1444","0.1565","","","","","","0.988","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218929","19.2296","0.0018","13.2582","0.0012","13.4958","0.0013","90","","129.226","0.002","90","","2665.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 Ni O6 -","- C20 H26 N12 Ni O6 -","- C80 H104 N48 Ni4 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.1135","0.0615","","","0.1254","0.1459","","","","","","0.898","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218930","18.96","0.04","12.97","0.04","13.27","0.04","90","","129.51","0.05","90","","2518","12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N12 O6 -","- C20 H26 Co N12 O6 -","- C80 H104 Co4 N48 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.154","0.0888","","","0.2251","0.297","","","","","","0.991","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218932","10.4466","0.0013","10.4466","0.0013","8.3093","0.0017","90","","90","","120","","785.3","0.2","93","2","93","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","NSBBF","","","- B3 Be3 F4 Na O9 Sr3 -","- B3 Be3 F4 Na O9 Sr3 -","- B9 Be9 F12 Na3 O27 Sr9 -","3","0.166667","","Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian","Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4","CrystEngComm","2015","17","4","925","","10.1039/C4CE02096K","","","0.71073","MoKα","","0.0305","0.0271","","","0.0632","0.0641","","","","","","0.64","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218966","4.822","0.002","22.257","0.01","11.408","0.005","90","","93.364","0.004","90","","1222.2","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0614","0.0527","","","0.1596","0.1799","","","","","","0.872","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218967","7.463","","7.747","","15.435","","94.52","","97.04","","117.68","","774.89","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0997","0.0755","","","0.231","0.2758","","","","","","0.974","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218968","28.784","0.019","6.795","0.004","14.074","0.009","90","","94.543","0.009","90","","2744","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.051","0.0474","","","0.1432","0.1479","","","","","","1.1","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218969","15.0137","0.0018","5.7145","0.0007","17.311","0.002","90","","105.671","0.007","90","","1430","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218970","3.8793","0.0007","15.208","0.003","23.308","0.004","90","","92.189","0.007","90","","1374.1","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br Cl2 O -","- C15 H8 Br Cl2 O -","- C60 H32 Br4 Cl8 O4 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0905","0.0509","","","0.0892","0.103","","","","","","1.029","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218971","7.82","0.005","24.093","0.013","7.286","0.004","90","","117.167","0.006","90","","1221.3","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N3 O2 -","- C14 H8 F N3 O2 -","- C56 H32 F4 N12 O8 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0551","0.0467","","","0.1343","0.1477","","","","","","1.129","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218972","8.781","0.008","9.08","0.01","11.641","0.012","86.17","0.05","69.02","0.04","73.38","0.04","829.8","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0825","0.0608","","","0.1693","0.201","","","","","","1.085","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218973","6.916","0.004","6.922","0.004","11.215","0.008","88.869","0.017","88.15","0.02","72.09","0.02","510.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","1","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0543","0.0513","","","0.1458","0.1501","","","","","","1.088","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218974","14.118","0.012","5.881","0.005","15.04","0.013","90","","113.629","0.01","90","","1144","1.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0998","0.0872","","","0.2784","0.2901","","","","","","1.149","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219008","11.225","0.002","31.408","0.006","13.382","0.003","90","","104.79","0.03","90","","4561.6","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Br2 Mo12 N6 O52 S -","- C60 H72 Br2 Mo12 N6 O52 S -","- C120 H144 Br4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0379","0.0304","","","0.0685","0.072","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219009","11.273","0.002","31.417","0.006","13.312","0.003","90","","105.12","0.03","90","","4551.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl2 Mo12 N6 O52 S -","- C60 H72 Cl2 Mo12 N6 O52 S -","- C120 H144 Cl4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0645","0.0814","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219010","11.31","0.002","31.231","0.006","13.308","0.003","90","","105.06","0.03","90","","4539.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F2 Mo12 N6 O52 S -","- C60 H72 F2 Mo12 N6 O52 S -","- C120 H144 F4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0415","0.0382","","","0.0981","0.101","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219011","11.113","0.002","31.24","0.006","13.533","0.003","90","","103.97","0.03","90","","4559.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 I2 Mo12 N6 O52 S -","- C60 H74 I2 Mo12 N6 O52 S -","- C120 H148 I4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0368","0.0305","","","0.0741","0.085","","","","","","1.088","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219020","12.1523","0.0017","12.5597","0.0019","14.3332","0.0014","104.789","0.011","102.134","0.01","107.641","0.013","1915","0.5","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O10 -","- C42 H56 O10 -","- C84 H112 O20 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0937","0.0631","","","0.1449","0.1768","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219021","12.6722","0.0004","15.1699","0.0005","22.9465","0.0011","90","","90","","90","","4411.1","0.3","173","2","173.15","","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C85 H122 Cl N O22 -","- C85 H122 Cl N O22 -","- C170 H244 Cl2 N2 O44 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0806","0.0626","","","0.1836","0.205","","","","","","1.048","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219022","12.6356","0.0002","15.106","0.0002","23.0509","0.0003","90","","90","","90","","4399.8","0.11","123.01","0.1","123.01","0.1","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C90 H140 Cl N O26 -","- C90 H140 Cl N O26 -","- C180 H280 Cl2 N2 O52 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","1.54184","CuKα","","0.0724","0.0677","","","0.1868","0.1921","","","","","","1.037","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219023","11.48122","0.00017","11.7421","0.0002","17.0131","0.0003","102.669","0.0014","92.3148","0.0013","102.562","0.0014","2174.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","1","0.5","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0916","0.0871","","","0.2544","0.2596","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219025","11.509","0.0003","11.5275","0.0002","18.1749","0.0004","94.3636","0.0017","101.915","0.0018","97.347","0.0018","2326.86","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Cl2 N2 O13 -","- C45 H68.6 Cl2 N2 O13 -","- C90 H137.2 Cl4 N4 O26 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.159","0.1638","","","","","","1.017","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219037","14.097","0.0019","14.2015","0.0019","14.2649","0.0019","115.663","0.001","113.627","0.001","97.603","0.002","2190.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","PCN-514-DMA complex","","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0269","0.0239","","","0.0602","0.062","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219038","26.567","0.005","14.332","0.003","25.354","0.007","90","","119.2","0.002","90","","8427","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PCN-518","","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","1","0.125","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0304","0.0271","","","0.0754","0.0767","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219043","9.802","0.0015","11.0335","0.0017","12.7221","0.0015","87.172","0.007","84.52","0.007","85.678","0.007","1364.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.128","0.0559","","","0.1008","0.1338","","","","","","0.986","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219044","10.9614","0.0006","20.1743","0.0011","8.7356","0.0005","90","","101.49","0.003","90","","1893.06","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","E,E-N3,N3'-Bis(2-pyridylmethylene)-(2,2'-bipyridine)-3,3'-diamine","","- C22 H16 N6 -","- C22 H16 N6 -","- C88 H64 N24 -","4","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0869","0.0529","","","0.0994","0.111","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219045","8.2407","0.0009","10.3017","0.0011","15.4495","0.0016","103.709","0.012","98.082","0.012","101.143","0.013","1226","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)","","- C23 H14 Cu F9 N5 O4 -","- C23 H14 Cu F9 N5 O4 -","- C46 H28 Cu2 F18 N10 O8 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0661","0.0422","","","0.1056","0.1305","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219046","4.9022","0.0006","13.8842","0.0015","15.385","0.002","90","","99.095","0.016","90","","1034","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N3,N3-Bis(Methoxy(pyridin-2-yl)methyl)-2,2-bipyridine-3,3-diamine","","- C24 H24 N6 O2 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","0.5","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0774","0.0352","","","0.0728","0.0833","","","","","","0.826","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219047","9.5227","0.0008","12.9131","0.0011","13.7732","0.0011","80.759","0.01","80.757","0.01","84.987","0.01","1646.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[5-(2'-Pyridinoyl)-6-(pyrid-2-yl)-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] complex with Zn(hfac)2","","- C32 H16 F12 N6 O5 Zn -","- C32 H16 F12 N6 O5 Zn -","- C64 H32 F24 N12 O10 Zn2 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0831","0.0465","","","0.1089","0.1291","","","","","","0.902","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219064","22.744","0.006","12.83","0.004","8.896","0.003","90","","93.181","0.005","90","","2591.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cu N2 O4 -","- C11 H15 Cu N2 O4 -","- C88 H120 Cu8 N16 O32 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0662","0.0411","","","0.0913","0.1039","","","","","","1.052","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219067","19.048","0.008","11.728","0.005","12.28","0.006","90","","104.772","0.008","90","","2653","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O10 -","- C26 H24 Cu2 N4 O10 -","- C104 H96 Cu8 N16 O40 -","4","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1204","0.0555","","","0.1086","0.1422","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219069","11.141","0.002","11.587","0.002","12.965","0.003","108.642","0.003","100.671","0.004","91.455","0.004","1552","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O9 -","- C30 H32 Cu2 N4 O9 -","- C60 H64 Cu4 N8 O18 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1184","0.0675","","","0.169","0.239","","","","","","1.119","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219070","11.5804","0.0016","11.6236","0.0016","12.3308","0.0018","113.262","0.002","114.306","0.002","96.107","0.002","1316.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N4 O8 -","- C25 H29 Cu2 N4 O8 -","- C50 H58 Cu4 N8 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.0737","0.0446","","","0.0994","0.109","","","","","","0.903","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219073","9.4625","0.0003","10.8617","0.0004","10.8624","0.0004","61.068","0.002","79.796","0.002","71.95","0.002","928.5","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","1","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0818","0.0485","","","0.107","0.1238","","","","","","0.99","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219074","8.8772","0.0007","9.1848","0.0007","12.0335","0.001","90","","94.284","0.001","90","","978.41","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0632","0.0545","","","0.1652","0.1727","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219082","9.6484","0.0006","11.7939","0.0007","11.8603","0.0005","73.671","0.004","67.426","0.005","74.356","0.005","1175.85","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mg2 O14 S2 -","- C18 H22 Mg2 O14 S2 -","- C36 H44 Mg4 O28 S4 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0615","0.0499","","","0.1238","0.132","","","","","","1.007","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219083","10.6233","0.0003","14.7624","0.0005","15.8152","0.0004","76.453","0.002","74.011","0.002","70.088","0.003","2214.51","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Mg4 O20 S8 -","- C32 H32 Mg4 O20 S8 -","- C64 H64 Mg8 O40 S16 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54184","CuKα","","0.068","0.0626","","","0.1585","0.1632","","","","","","1.011","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219084","22.2398","0.0001","22.2398","0.0001","12.301","0.0001","90","","90","","90","","6084.18","0.06","100","2","100","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C22 H29.5 Mg2 N2.5 O12 S2 -","- C14 H7 Mg2 O10 S2 -","- C112 H56 Mg16 O80 S16 -","8","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54178","CuKα","","0.0323","0.0308","","","0.0898","0.0917","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219087","6.3606","0.0008","8.016","0.001","20.077","0.003","90","","93.498","0.002","90","","1021.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O2 -","- C10 H8 Ag N3 O2 -","- C40 H32 Ag4 N12 O8 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0283","0.0259","","","0.0712","0.0725","","","","","","1.078","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219088","23.034","0.008","9.401","0.003","9.582","0.003","90","","104.962","0.004","90","","2004.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H17 Cu N6 O5 -","- C80 H68 Cu4 N24 O20 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0686","0.0414","","","0.0864","0.0989","","","","","","1.015","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219089","23.812","0.005","8.411","0.0015","10.8594","0.0019","90","","111.132","0.004","90","","2028.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Eu N6 O6 -","- C21 H16 Eu N6 O6 -","- C84 H64 Eu4 N24 O24 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0775","0.0819","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219090","10.788","0.0012","25.337","0.003","9.4619","0.001","90","","97.026","0.001","90","","2566.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ag N4 O4 -","- C30 H23 Ag N4 O4 -","- C120 H92 Ag4 N16 O16 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0593","0.0383","","","0.0843","0.0946","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219091","14.578","0.003","5.8741","0.0014","15.358","0.004","90","","96.23","0.003","90","","1307.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cu N4 O4 -","- C30 H22 Cu N4 O4 -","- C60 H44 Cu2 N8 O8 -","2","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0364","0.0299","","","0.0773","0.0818","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219092","17.931","0.004","8.4694","0.0019","26.347","0.006","90","","93.148","0.003","90","","3995.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Eu N6 O6 -","- C45 H33 Eu N6 O6 -","- C180 H132 Eu4 N24 O24 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0831","0.0559","","","0.1463","0.1629","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219116","10.882","0.002","11.587","0.002","13.273","0.003","113.3","0.03","96.32","0.03","95.46","0.03","1510","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","1","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1029","0.0688","","","0.1515","0.1758","","","","","","1.064","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219117","23.402","0.002","21.76","0.002","26.461","0.003","90","","116.239","0.002","90","","12086","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cu3 Mo12 N8 O40.5 P -","- C35 H30 Cu3 Mo12 N8 O40.5 P -","- C280 H240 Cu24 Mo96 N64 O324 P8 -","8","1","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.0886","0.0549","","","0.1388","0.1555","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219118","10.8252","0.0014","10.8613","0.0014","23.243","0.003","90","","104.379","0.005","90","","2647.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu2 Mo12 N6 O40 P -","- C25 H16 Cu2 Mo12 N6 O40 P -","- C50 H32 Cu4 Mo24 N12 O80 P2 -","2","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.071","0.0566","","","0.1359","0.1454","","","","","","1.015","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219119","22.726","0.004","15.455","0.003","12.036","0.002","90","","115.17","0.03","90","","3826","1.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H44 Cu2 N10 O42 P W12 -","- C54 H40 Cu2 N10 O42 P W12 -","- C108 H80 Cu4 N20 O84 P2 W24 -","2","0.25","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1086","0.1017","","","0.2294","0.2347","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219120","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","12-2Ar","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability","CrystEngComm","2015","17","6","1439","","10.1039/C4CE01879F","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219122","11.823","0.002","5.3348","0.0011","20.053","0.004","90","","94.81","0.003","90","","1260.4","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0386","0.0344","","","0.0776","0.0808","","","","","","1.025","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219124","11.6229","0.0004","8.0177","0.0003","26.8738","0.001","90","","93.789","0.001","90","","2498.87","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C96 H96 Cd8 O48 -","8","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0465","0.042","","","0.0946","0.0972","","","","","","1.159","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219127","7.8693","0.0013","5.1027","0.0008","23.951","0.004","90","","90.465","0.003","90","","961.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N4 O6 -","- C18 H20 B2 N4 O6 -","- C36 H40 B4 N8 O12 -","2","0.5","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0417","0.0373","","","0.1049","0.1086","","","","","","1.048","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219129","5.1113","0.0007","11.2936","0.0016","12.0927","0.0017","76.589","0.002","84.831","0.002","78.494","0.002","664.67","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C24 H24 B2 I2 N4 O6 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0381","0.0327","","","0.074","0.0758","","","","","","1.058","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219144","11.3111","0.0015","13.5636","0.0018","16.321","0.002","81.613","0.002","75.368","0.002","67.987","0.002","2242.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Hg3 I6 N4 O2 -","- C35 H32 Hg3 I6 N4 O2 -","- C70 H64 Hg6 I12 N8 O4 -","2","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0584","0.0471","","","0.1245","0.1326","","","","","","1.037","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219146","10.8182","0.0005","20.4671","0.001","18.6333","0.0009","90","","101.76","0.001","90","","4039.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Ag2 Cl4 N6 O2 -","- C43 H38 Ag2 Cl4 N6 O2 -","- C172 H152 Ag8 Cl16 N24 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0442","0.0354","","","0.0877","0.0934","","","","","","1.046","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219147","14.416","0.0012","15.8007","0.0013","23.0337","0.0014","90","","127.396","0.003","90","","4168.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl10 Hg5 N4 O2 -","- C27 H32 Cl10 Hg5 N4 O2 -","- C108 H128 Cl40 Hg20 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0539","0.037","","","0.0788","0.0895","","","","","","1.011","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219149","10.84","0.004","13.647","0.005","25.631","0.009","90","","102.5","0.013","90","","3702","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag Cr N4 O5.5 -","- C38 H42 Ag Cr N4 O5.5 -","- C152 H168 Ag4 Cr4 N16 O22 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0677","0.0603","","","0.1639","0.1718","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219151","11.4527","0.0006","20.9738","0.0011","15.9974","0.0008","90","","99.621","0.001","90","","3788.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl4 Hg2 N4 O2 -","- C38 H42 Cl4 Hg2 N4 O2 -","- C152 H168 Cl16 Hg8 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0311","0.0259","","","0.0628","0.0695","","","","","","1.049","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219152","15.457","0.0004","13.4361","0.0002","13.8616","0.0003","90","","113.356","0.003","90","","2642.91","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 F12 N4 Ni2 O12 -","- C54 H40 F12 N4 Ni2 O12 -","- C108 H80 F24 N8 Ni4 O24 -","2","0.5","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0428","0.0328","","","0.0812","0.0887","","","","","","1.026","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219153","29.6835","0.001","22.611","0.0008","8.2315","0.0002","90","","92.633","0.003","90","","5518.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H84 F24 N10 Ni4 O21 -","- C111 H84 F24 N10 Ni4 O21 -","- C222 H168 F48 N20 Ni8 O42 -","2","0.25","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0651","0.0515","","","0.1467","0.1562","","","","","","1.071","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219154","12.1471","0.0004","14.5855","0.0007","17.494","0.0007","111.295","0.004","90.612","0.003","91.087","0.003","2886.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 F12 N4 Ni2 O13 -","- C55 H42 F12 N4 Ni2 O12.25 -","- C110 H84 F24 N8 Ni4 O24.5 -","2","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.09","0.0799","","","0.211","0.2167","","","","","","1.187","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219155","14.4565","0.0004","38.2307","0.0008","10.008","0.0002","90","","109.779","0.003","90","","5204.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C228 H156 F48 N20 O36 Zn8 -","8","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","0.71073","MoKα","","0.0612","0.0389","","","0.0987","0.1091","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219156","27.963","0.013","5.091","0.002","16.89","0.008","90","","118.873","0.007","90","","2105.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C80 H96 N16 O28 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.069","0.0508","","","0.1341","0.1631","","","","","","0.91","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219159","6.886","0.007","19.68","0.02","16.336","0.019","90","","100.08","0.02","90","","2180","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O10 -","- C18 H26 N4 O10 -","- C72 H104 N16 O40 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0957","0.0647","","","0.1755","0.2005","","","","","","1.295","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219166","21.622","0.002","17.5525","0.0016","16.4817","0.0016","90","","110.836","0.002","90","","5846.1","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co1.5 N3 O21 Ru3 -","- C30 H30 Co1.5 N3 O21 Ru3 -","- C120 H120 Co6 N12 O84 Ru12 -","4","0.5","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.49594","","","0.1482","0.0847","","","0.2264","0.2506","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219167","55.289","0.013","28.916","0.005","17.468","0.003","90","","95.92","0.005","90","","27778","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C180 H196 Co3 N18 O124 Ru24 -","- C180 H180 Co3 N18 O124 Ru24 -","- C360 H360 Co6 N36 O248 Ru48 -","2","0.25","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.44487","","","0.1627","0.1287","","","0.353","0.3774","","","","","","1.343","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219168","30.4852","0.001","9.0518","0.0003","20.1865","0.0007","90","","107.086","0.003","90","","5324.5","0.3","129.8","0.5","129.8","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Eu2 N2 O19 -","- C50 H46 Eu2 N2 O19 -","- C200 H184 Eu8 N8 O76 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0532","0.0485","","","0.1256","0.1312","","","","","","1.036","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219169","30.379","0.002","8.9963","0.0004","20.1175","0.0014","90","","107.423","0.008","90","","5245.8","0.6","130.4","0.2","130.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N2 O19 Tb2 -","- C50 H46 N2 O19 Tb2 -","- C200 H184 N8 O76 Tb8 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0848","0.0794","","","0.2103","0.2169","","","","","","1.047","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219170","9.4805","0.0004","13.8989","0.0007","16.646","0.0009","85.35","0.004","76.57","0.004","72.158","0.005","2030.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Eu N3 O15 -","- C37 H42 Eu N3 O15 -","- C74 H84 Eu2 N6 O30 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0389","0.0331","","","0.079","0.0828","","","","","","1.063","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219171","9.3955","0.0005","13.8663","0.0006","16.5559","0.001","85.363","0.004","76.965","0.005","72.239","0.005","2001","0.2","130.3","0.14","130.3","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N3 O15 Tb -","- C37 H42 N3 O15 Tb -","- C74 H84 N6 O30 Tb2 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0347","0.0308","","","0.0693","0.0726","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219172","9.4187","0.0006","28.0878","0.0014","16.7579","0.0011","90","","99.446","0.006","90","","4373.2","0.5","133.8","0.2","133.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu2 N O18 -","- C45 H35 Eu2 N O18 -","- C180 H140 Eu8 N4 O72 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0662","0.0512","","","0.12","0.1305","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219173","9.3673","0.0004","27.9636","0.0009","16.8012","0.0006","90","","99.382","0.004","90","","4342.1","0.3","129.6","0.2","129.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 N O18 Tb2 -","- C45 H35 N O18 Tb2 -","- C180 H140 N4 O72 Tb8 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0505","0.0432","","","0.1007","0.1056","","","","","","1.08","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219174","14.774","0.002","14.774","0.002","14.774","0.002","90","","90","","90","","3224.7","0.8","150","0.2","150","0.2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C6 H28 Mo3 N14 O2 Re3 S8 Zn3 -","- C6 H24.48 Mo3 N14 O1.98 Re3 S8 Zn3 -","- C24 H97.92 Mo12 N56 O7.92 Re12 S32 Zn12 -","4","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0535","0.0433","","","0.1079","0.1169","","","","","","1.178","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219175","14.9831","0.0003","14.9831","0.0003","14.9831","0.0003","90","","90","","90","","3363.61","0.12","150","0.2","150","0.2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C18 H114 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","1","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0534","0.038","","","0.1217","0.1327","","","","","","1.123","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219184","9.4022","0.0008","13.4466","0.0012","17.5161","0.0015","89.367","0.002","87.358","0.001","87.449","0.001","2209.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N14 Ni2 O14 V4 -","- C28 H46 N14 Ni2 O14 V4 -","- C56 H92 N28 Ni4 O28 V8 -","2","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0825","0.0469","","","0.087","0.0954","","","","","","1.021","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219186","9.4328","0.0011","16.3873","0.0017","11.3981","0.0012","90","","99.731","0.002","90","","1736.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 O7 V2 -","- C10 H18 Cd N4 O7 V2 -","- C40 H72 Cd4 N16 O28 V8 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0515","0.0329","","","0.0603","0.0691","","","","","","1.066","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219198","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219199","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219200","10.975","0.004","21.227","0.007","34.042","0.01","87.099","0.007","82.157","0.006","83.536","0.006","7802","4","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H196 Cl6 N2 O32 Si16 -","- C128 H196 Cl6 N2 O32 Si16 -","- C256 H392 Cl12 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4307","0.1564","","","0.3682","0.4661","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219201","15.31","0.008","15.323","0.009","37.78","0.02","100.751","0.01","95.049","0.011","102.622","0.01","8420","8","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C135 H193 Cl9 N2 O32 Si16 -","- C135 H193 Cl9 N2 O32 Si16 -","- C270 H386 Cl18 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4064","0.1858","","","0.4245","0.5002","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219202","11.3824","0.0002","21.8344","0.0004","23.7734","0.0005","86.5313","0.0016","81.6042","0.0018","83.2088","0.0017","5798.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 N2 O28 Si16 -","- C86 H146 N2 O28 Si16 -","- C172 H292 N4 O56 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","1.5418","CuKα","","0.3009","0.2148","","","0.5006","0.5282","","","","","","1.159","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219205","11.9644","0.0011","11.7512","0.0009","20.5623","0.0016","90","","96.341","0.008","90","","2873.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N16 Ni2 O4 -","- C25 H24 N16 Ni2 O4 -","- C100 H96 N64 Ni8 O16 -","4","0.5","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.0719","0.0407","","","0.0764","0.0819","","","","","","0.898","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219206","16.2734","0.0018","18.977","0.003","19.136","0.002","90","","111.964","0.014","90","","5480.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 Mn N14 O12 -","- C51 H48 Mn N14 O12 -","- C204 H192 Mn4 N56 O48 -","4","1","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1009","0.0469","","","0.1081","0.1197","","","","","","0.836","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219207","10.2918","0.0001","10.2918","0.0001","33.1588","0.0008","90","","90","","90","","3512.22","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H24 Co2 N16 O4 -","- C25 H24 Co2 N16 O4 -","- C100 H96 Co8 N64 O16 -","4","0.25","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","1.54178","CuKα","","0.0607","0.0469","","","0.1651","0.1758","","","","","","1.104","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219208","5.19126","0.00015","33.428","0.001","9.217","0.0003","90","","112.021","0.0014","90","","1482.77","0.08","298.1","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.05","","","","0.151","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219209","7.12742","0.00015","12.8781","0.0003","15.9623","0.0005","90","","103.45","0.0014","90","","1424.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.037","","","","0.1004","","","","","","1.073","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219210","4.88516","0.00018","8.6653","0.0003","18.6176","0.0007","86.98","0.003","85.549","0.003","80.147","0.002","773.52","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.0549","","","","0.1249","","","","","","0.923","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219212","7.807","0.003","6.49","0.003","10.879","0.003","90","","117.15","0.02","90","","490.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0482","0.0466","","","0.1285","0.1304","","","","","","1.043","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219213","11.4672","0.0009","7.1734","0.0006","17.2977","0.0014","90","","102.957","0.001","90","","1386.66","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Cl Cu2 N4 S -","- C2 H3 Cl Cu2 N4 S -","- C16 H24 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0228","0.0204","","","0.0485","0.0495","","","","","","1.067","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219214","8.7795","0.0014","6.4704","0.0011","10.8283","0.0017","90","","106.422","0.002","90","","590.03","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0303","0.0266","","","0.0666","0.0684","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219215","11.1796","0.0017","8.4442","0.0014","17.314","0.003","90","","103.158","0.002","90","","1591.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl Cu2 N4 S -","- C3 H5 Cl Cu2 N4 S -","- C24 H40 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0384","0.0351","","","0.08","0.0813","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219216","11.8373","0.001","11.5492","0.0009","12.7035","0.001","90","","95.068","0.001","90","","1729.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd3 O14 -","- C13 H12 Cd3 O14 -","- C52 H48 Cd12 O56 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Wen, Hui-Liang; Tan, Sheng-Shui; John Zhang, Z.","A rare I2O3hybrid organic‒inorganic material with high connectivity and quadruple-stranded helices","CrystEngComm","2015","17","7","1518","","10.1039/C4CE02253J","","","0.71073","MoKα","","0.0312","0.0288","","","0.0811","0.0826","","","","","","1.089","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219217","15.655","0.003","16.561","0.003","21.2","0.003","90","","120.567","0.009","90","","4732.6","1.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N6 O5 Zn -","- C23 H14 N6 O5 Zn -","- C184 H112 N48 O40 Zn8 -","8","1","","Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali","An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes","CrystEngComm","2015","17","7","1680","","10.1039/C4CE02141J","","","0.71073","MoKα","","0.1354","0.0805","","","0.1589","0.1747","","","","","","1.083","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219229","5.244797","0.00003","5.244797","","11.3813","0.00013","90","","90","","90","","313.076","0.004","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Calcium tungstate","","","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.05","0.0342","","","0.0666","","0.02583","","1.95","","","1.95","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219230","5.24701","0.00005","5.24701","","11.3846","0.00018","90","","90","","90","","313.431","0.006","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.99 Eu0.01 O4 W -","- Ca0.98967 Eu0.01059 O4 W -","- Ca3.95868 Eu0.04236 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0548","0.0326","","","0.0729","","0.04681","","2.24","","","2.24","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219231","5.24643","0.00006","5.24643","","11.38357","0.00021","90","","90","","90","","313.333","0.007","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.98 Eu0.02 O4 W -","- Ca0.9804 Eu0.0196 O4 W -","- Ca3.9216 Eu0.0784 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0591","0.0342","","","0.0799","","0.02956","","2.34","","","2.34","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219232","5.24682","0.00004","5.24682","","11.38143","0.00016","90","","90","","90","","313.321","0.005","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.96 Eu0.04 O4 W -","- Ca0.96289 Eu0.03711 O4 W -","- Ca3.85156 Eu0.14844 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0472","0.0322","","","0.0633","","0.0235","","1.97","","","1.97","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219233","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219234","3.725","0.001","7.368","0.002","20.417","0.004","90","","91.47","0.01","90","","560.2","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.06","0.0457","","","0.1172","0.1274","","","","","","1.047","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219235","9.997","0.002","3.754","0.001","15.362","0.003","90","","106.31","0.03","90","","553.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0569","0.0427","","","0.1083","0.1187","","","","","","1.094","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219236","9.773","0.002","4.052","0.0008","14.993","0.005","90","","109.95","0.03","90","","558.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0479","0.0379","","","0.1102","0.1165","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7219237","15.563","0.003","17.642","0.003","17.736","0.005","116.804","0.009","92.853","0.016","107.383","0.012","4049.4","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H44 Cu8 N36 -","- C76 H44 Cu8 N36 -","- C152 H88 Cu16 N72 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.0743","0.051","","","0.1245","0.1424","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219238","11.446","0.01","13.434","0.014","15.352","0.015","79.59","0.03","76.45","0.03","79.82","0.04","2235","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Cu5 N19 O2 -","- C39 H21 Cu5 N19 O2 -","- C78 H42 Cu10 N38 O4 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.1241","0.0827","","","0.2362","0.3222","","","","","","1.061","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219239","5.6775","0.0003","11.7141","0.0007","18.3172","0.0011","90","","98.832","0.001","90","","1203.77","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0666","0.0589","","","0.1413","0.1484","","","","","","1.054","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219240","26.2548","0.0016","6.0047","0.0004","27.3511","0.0017","90","","117.786","0.002","90","","3814.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C168 H192 O24 -","24","3","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0491","0.0377","","","0.0936","0.1016","","","","","","1.02","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219261","15.331","0.003","33.859","0.007","10.827","0.002","90","","104.229","0.003","90","","5447.8","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N3 Ni O6 -","- C30 H20 N3 Ni O6 -","- C240 H160 N24 Ni8 O48 -","8","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0691","0.0553","","","0.1783","0.2238","","","","","","1.047","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219263","9.406","0.004","9.512","0.003","11.655","0.004","75.58","0.006","80.947","0.006","66.329","0.006","923","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N Ni O5 -","- C20 H12 N Ni O5 -","- C40 H24 N2 Ni2 O10 -","2","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.118","0.0874","","","0.3104","0.3773","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219265","12.611","0.0003","13.0901","0.0006","23.1334","0.0011","86.751","0.004","89.566","0.003","66.489","0.004","3495.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H156 Cl4 Co8 O43 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0933","0.0629","","","0.1564","0.1733","","","","","","0.972","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219266","11.7307","0.0006","21.7103","0.0011","27.772","0.0013","90","","89.317","0.005","90","","7072.4","0.6","100","2","100","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -","- C116 H112.6 Cl2 Co8 N2 O22 S8 -","- C232 H225.2 Cl4 Co16 N4 O44 S16 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0972","0.0771","","","0.2223","0.2319","","","","","","1.093","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219268","3.8298","0.0004","13.6659","0.0013","26.168","0.002","90","","91.048","0.005","90","","1369.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0629","0.0446","","","0.1262","0.1351","","","","","","1.392","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219269","10.122","0.002","10.636","0.002","14.713","0.003","94.212","0.011","105.65","0.011","104.86","0.011","1456.8","0.5","569","2","569","2","","","","","","","","4","P -1","-P 1","2","","","","- C26.83 H27.49 N2 O12.11 -","- C26.831 H27.493 N2 O12.114 -","- C53.662 H54.986 N4 O24.228 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1109","0.0641","","","0.1309","0.1429","","","","","","1.681","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219270","10.037","0.003","10.936","0.003","14.655","0.004","94.839","0.015","104.698","0.014","104.297","0.014","1489.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27.92 H30 N2 O12.06 -","- C27.92 H30 N2 O12.06 -","- C55.84 H60 N4 O24.12 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0875","0.0569","","","0.1611","0.1837","","","","","","0.973","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219271","9.525","0.003","27.883","0.009","13.755","0.004","90","","107.856","0.016","90","","3477.2","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","2","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1193","0.0594","","","0.1354","0.1713","","","","","","0.94","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219272","10.979","0.002","11.02","0.002","14.01","0.003","89.54","0.03","78.13","0.03","77.87","0.03","1620.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0938","0.0531","","","0.1479","0.1968","","","","","","0.966","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219273","7.9394","0.0017","11.221","0.002","19.683","0.004","93.603","0.008","92.516","0.007","95.843","0.007","1738.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O7 -","- C40 H34 N4 O7 -","- C80 H68 N8 O14 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0747","0.0517","","","0.1325","0.1713","","","","","","1.189","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219274","15.056","0.002","13.1093","0.0018","15.2651","0.0019","90","","105.105","0.005","90","","2908.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N4 O13 -","- C29 H30 N4 O13 -","- C116 H120 N16 O52 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0847","0.0776","","","0.2056","0.2095","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219275","10.6026","0.0009","14.4115","0.0009","15.2947","0.0015","72.165","0.007","85.457","0.007","86.934","0.006","2216.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43.63 N6 O21.18 S4 -","- C40 H43.65 N6 O21.175 S4 -","- C80 H87.3 N12 O42.35 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0567","0.0441","","","0.1105","0.1203","","","","","","0.827","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219276","12.5233","0.0003","12.7554","0.0004","17.6293","0.0005","77.734","0.002","75.621","0.002","66.431","0.003","2479.93","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H54.84 N6 O25.15 S4 -","- C41.704 H54.846 N6 O25.148 S4 -","- C83.408 H109.692 N12 O50.296 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0448","0.037","","","0.0984","0.1028","","","","","","0.932","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219277","12.4798","0.0005","12.6682","0.0004","17.6904","0.0005","77.545","0.003","75.299","0.003","67.843","0.003","2482.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50.98 N6 O26 S4 -","- C41 H50.986 N6 O26 S4 -","- C82 H101.972 N12 O52 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0557","0.045","","","0.1105","0.1176","","","","","","0.863","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219278","20.2344","0.0004","15.2501","0.0003","17.8339","0.0003","90","","107.069","0.002","90","","5260.72","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 N6 O27 S4 -","- C43 H59 N6 O27 S4 -","- C172 H236 N24 O108 S16 -","4","0.5","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0842","0.0782","","","0.2011","0.2071","","","","","","0.892","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219279","11.213","0.002","22.602","0.004","8.0287","0.0016","90","","98.034","0.004","90","","2014.8","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 S2 -","- C18 H20 Ag Cl N2 O4 S2 -","- C72 H80 Ag4 Cl4 N8 O16 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0487","0.0428","","","0.0999","0.1022","","","","","","1.199","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219280","7.7301","0.0006","9.3388","0.0005","14.2614","0.0008","102.835","0.005","102.369","0.006","95.408","0.006","969.57","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","1","0.5","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.035","0.0301","","","0.0638","0.067","","","","","","1.042","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219281","11.488","0.004","23.359","0.009","7.938","0.003","90","","95.257","0.006","90","","2121.2","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag F6 N2 P S2 -","- C18 H20 Ag F6 N2 P S2 -","- C72 H80 Ag4 F24 N8 P4 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0975","0.0804","","","0.1754","0.1833","","","","","","1.167","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219282","10.488","0.002","23.158","0.005","8.6272","0.0015","90","","102.906","0.004","90","","2042.4","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 Se2 -","- C18 H20 Ag Cl N2 O4 Se2 -","- C72 H80 Ag4 Cl4 N8 O16 Se8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0456","0.0279","","","0.0496","0.055","","","","","","1.038","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219283","8.51314","0.0001","22.6458","0.0003","22.5566","0.0003","90","","98.0482","0.0012","90","","4305.79","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C144 H160 Ag8 F48 N16 P8 Se16 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0491","0.0534","","","","","","0.671","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219296","10.61","0.0005","11.804","0.0005","20.698","0.0005","90","","102.821","0.005","90","","2527.6","0.18","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H15 Co2 N15 O44.5 Si W12 -","- C10 H15 Co2 N15 O44.5 Si W12 -","- C20 H30 Co4 N30 O89 Si2 W24 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0891","0.0481","","","0.0927","0.1058","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219297","13.088","0.0005","13.764","0.0005","15.963","0.0005","99.833","0.005","99.52","0.005","101.798","0.005","2713.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1062","0.0574","","","0.1156","0.1401","","","","","","1.003","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219298","11.551","0.0005","12.13","0.0005","14.286","0.0005","94.156","0.005","105.714","0.005","106.035","0.005","1828.27","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 Ge N24 O55 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1178","0.0685","","","0.1697","0.2041","","","","","","1.034","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219299","11.535","0.0005","12.091","0.0005","14.313","0.0005","94.051","0.005","105.611","0.005","105.77","0.005","1827.83","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 N24 O55 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0904","0.0688","","","0.1701","0.1862","","","","","","1.029","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219300","19.144","0.0005","23.388","0.0005","22.86","0.0005","90","","102.838","0.005","90","","9979.5","0.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H118 Co11 K2 N42 Na2 O169 P4 W36 -","- C28 H38 Co11 K2 N42 Na2 O152 P4 W36 -","- C56 H76 Co22 K4 N84 Na4 O304 P8 W72 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0955","0.0681","","","0.1558","0.17","","","","","","1.071","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219301","24.871","0.0002","14.2534","0.0001","20.828","0.0002","90","","125.026","0.003","90","","6046.2","0.2","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H49 Cu6 N18 O54 P S W9 -","- C12 H13 Cu6 N18 O40.9998 P S W9 -","- C48 H52 Cu24 N72 O163.999 P4 S4 W36 -","4","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71073","MoKα","","0.0835","0.0536","","","0.143","0.1649","","","","","","1.064","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219307","26.859","0.005","10.5583","0.0019","15.311","0.003","90","","119.508","0.002","90","","3778.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate THF solvate","","","- C49 H42 N2 O7 -","- C49 H42 N2 O7 -","- C196 H168 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0761","0.049","","","0.1066","0.122","","","","","","1.029","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219308","26.804","0.004","10.6999","0.0016","15.194","0.002","90","","119.868","0.002","90","","3778.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate 1,4-dioxane solvate","","","- C49 H42 N2 O8 -","- C49 H42 N2 O8 -","- C196 H168 N8 O32 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0891","0.0507","","","0.1062","0.1229","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219309","27.277","0.01","10.398","0.004","15.424","0.006","90","","119.02","0.004","90","","3825","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-phenylpyridinium pamoate DMSO solvate","","- C47 H34 N2 O7 S -","- C47 H34 N2 O7 S -","- C188 H136 N8 O28 S4 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.082","0.054","","","0.1454","0.1643","","","","","","1.025","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219310","27.121","0.006","10.418","0.002","15.424","0.003","90","","118.915","0.003","90","","3814.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate acetone solvate","","","- C48 H40 N2 O7 -","- C48 H40 N2 O7 -","- C192 H160 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.1206","0.0571","","","0.111","0.1381","","","","","","0.987","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219311","27.355","0.007","10.464","0.003","15.401","0.004","90","","119.512","0.003","90","","3836.4","1.8","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate DMF solvate","","","- C47.65 H40.17 N2.88 O7 -","- C47.645 H40.174 N2.881 O7 -","- C190.58 H160.696 N11.524 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0927","0.0667","","","0.1588","0.1716","","","","","","1.061","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219312","7.7618","0.0007","17.3278","0.0016","18.8269","0.0017","90","","99.867","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0652","0.0433","","","0.0994","0.1114","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219313","11.0358","0.0019","13.172","0.002","17.721","0.003","90","","101.056","0.002","90","","2528.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0584","0.0429","","","0.101","0.1098","","","","","","1.052","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219315","9.651","0.001","15.7906","0.0012","12.8901","0.0011","90","","92.055","0.009","90","","1963.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cu N4 O11 -","- C34 H46 Cu N4 O8 -","- C68 H92 Cu2 N8 O16 -","2","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71073","MoKα","","0.1786","0.1154","","","0.2231","0.2404","","","","","","1.186","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219316","7.0051","0.0003","7.0051","0.0003","5.4758","0.0002","90","","90","","120","","232.706","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0269","0.0269","","","0.0724","0.0724","","","","","","0.668","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219317","7.0045","0.0003","7.0045","0.0003","5.4789","0.0003","90","","90","","120","","232.797","0.019","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0184","0.0181","","","0.0522","0.0526","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219318","7.0047","0.0002","7.0047","0.0002","5.4772","0.0003","90","","90","","120","","232.739","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.077","0.077","","","0.2202","0.2202","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219319","7.0055","0.0003","7.0055","0.0003","5.4774","0.0002","90","","90","","120","","232.8","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0547","0.055","","","","","","1.146","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219321","13.1356","0.0007","13.2969","0.0007","14.4976","0.0007","108.632","0.005","92.585","0.004","97.24","0.004","2370.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0853","0.068","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219322","11.3945","0.0005","14.8843","0.0008","15.869","0.0007","64.69","0.005","89.747","0.004","89.661","0.004","2433","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H76 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0796","0.0527","","","0.0953","0.1066","","","","","","1.108","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219324","18.211","0.003","5.1283","0.001","13.915","0.003","90","","96.803","0.002","90","","1290.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu2 N2 O8 -","- C12 H8 Cu2 N2 O8 -","- C48 H32 Cu8 N8 O32 -","4","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0391","0.0296","","","0.0724","0.0777","","","","","","1.022","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219325","6.2937","0.0016","6.8393","0.0017","9.545","0.004","99.689","0.004","90.764","0.004","116.946","0.003","359.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","1","0.5","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0405","0.0338","","","0.0813","0.0849","","","","","","1.073","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219326","12.1868","0.0013","12.4222","0.0013","15.4307","0.0016","77.399","0.001","88.583","0.001","85.884","0.001","2273.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N6 O21 -","- C38 H48 Cu2 N6 O21 -","- C76 H96 Cu4 N12 O42 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0559","0.0395","","","0.0981","0.1078","","","","","","1.03","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219327","4.785","0.007","9.33","0.014","14.53","0.02","89.807","0.016","81.067","0.016","77.496","0.016","625.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N2 O8 -","- C12 H10 Cu N2 O8 -","- C24 H20 Cu2 N4 O16 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0324","0.0282","","","0.075","0.0777","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219337","9.9709","0.0008","10.8286","0.0007","16.093","0.0015","99.983","0.003","98.899","0.003","109.619","0.002","1568.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl3 F2 O6 P W -","- C32 H20 Cl3 F2 O6 P W -","- C64 H40 Cl6 F4 O12 P2 W2 -","2","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0354","0.026","","","0.0524","0.0563","","","","","","1.058","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219338","10.6618","0.0003","16.0963","0.0004","16.5683","0.0005","76.9465","0.0016","87.9808","0.0016","86.8159","0.0016","2764.87","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H18 F3 O6 P W -","- C31 H18 F3 O6 P W -","- C124 H72 F12 O24 P4 W4 -","4","2","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0482","0.0362","","","0.0852","0.0898","","","","","","1.005","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219339","36.0465","0.001","9.5603","0.0003","16.5305","0.0004","90","","93.8297","0.0017","90","","5683.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 F5 O6 P W -","- C31 H16 F5 O6 P W -","- C248 H128 F40 O48 P8 W8 -","8","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0581","0.0378","","","0.0857","0.0931","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219344","17.707","0.0002","14.7731","0.0002","37.6605","0.0004","90","","101.434","0.001","90","","9656","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H212 N2 O54 P4 S8 -","- C176 H158 N2 O53.9998 P4 S8 -","- C352 H316 N4 O108 P8 S16 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions","CrystEngComm","2015","17","7","1526","","10.1039/C4CE02086C","","","1.54178","CuKα","","0.1338","0.1197","","","0.2734","0.2808","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219345","6.7039","0.0002","14.9481","0.0004","9.6177","0.0002","90","","98.9365","0.0018","90","","952.1","0.04","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C32 H32 O32 -","8","2","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.04","0.035","","0.0865","0.077","0.0851","","","","","","1.0572","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219347","13.1493","0.0004","16.19","0.0005","19.3364","0.0006","66.7678","0.001","70.8605","0.0009","87.8194","0.0009","3553.78","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H70 Cl Ir2 N8 O19 Pb -","- C77 H70 Cl Ir2 N8 O19 Pb -","- C154 H140 Cl2 Ir4 N16 O38 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0971","0.0672","","","0.1801","0.2108","","","","","","1.062","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219348","29.4296","0.0007","8.7352","0.0002","30.6568","0.0007","90","","99.2586","0.0007","90","","7778.4","0.3","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C296 H284 Cl2 Ir8 N40 O74 Pb4 -","2","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0539","0.0429","","","0.1263","0.1368","","","","","","1.092","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219349","13.0965","0.0002","16.9698","0.0003","19.3066","0.0003","67.1073","0.0009","71.2175","0.001","88.2966","0.001","3719.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H73 Ir2 N9 O15 Pb -","- C79 H73 Ir2 N9 O15 Pb -","- C158 H146 Ir4 N18 O30 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0891","0.0478","","","0.1181","0.135","","","","","","1.02","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219350","8.7126","0.0002","18.2978","0.0004","22.6191","0.0005","87.0367","0.0009","83.5709","0.0009","79.003","0.001","3515.79","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H122 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","1","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0849","0.0449","","","0.0925","0.1119","","","","","","1.056","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219372","19.637","0.002","9.4274","0.001","5.7239","0.0005","90","","93.912","0.003","90","","1057.17","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K2 N2 O6 -","- C20 H24 K2 N2 O6 -","- C40 H48 K4 N4 O12 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1078","0.051","","","0.0923","0.1115","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219373","6.0077","0.0009","16.128","0.003","9.1598","0.0017","90","","104.63","0.005","90","","858.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1174","0.0595","","","0.1259","0.1533","","","","","","0.997","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219374","17.666","0.007","24.302","0.006","6.013","0.0012","90","","100.76","0.04","90","","2536.1","1.3","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H56 N6 O12 Zn3 -","- C46 H56 N6 O12 Zn3 -","- C92 H112 N12 O24 Zn6 -","2","0.25","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.7109","Synchrotron","","0.0778","0.0639","","","0.1661","0.1758","","","","","","1","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219375","11.99","0.003","18.125","0.004","12.239","0.003","90","","105.173","0.004","90","","2567","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O9 Zn2 -","- C24 H17 N6 O9 Zn2 -","- C96 H68 N24 O36 Zn8 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0656","0.0591","","","0.1593","0.1685","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219376","34.838","0.009","13.738","0.003","25.355","0.006","90","","90.058","0.004","90","","12135","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cd2 N17 O14 -","- C47 H49 Cd2 N17 O14 -","- C376 H392 Cd16 N136 O112 -","8","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0926","0.0769","","","0.2052","0.2191","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219377","21.139","0.004","13.704","0.002","21.81","0.004","90","","107.006","0.003","90","","6041.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 N18 O16 -","- C50 H56 Cd2 N18 O16 -","- C200 H224 Cd8 N72 O64 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0919","0.0804","","","0.2084","0.2204","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219378","11.328","0.004","24.951","0.007","13.624","0.005","90","","114.073","0.004","90","","3516","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cd N8 O7 -","- C33 H32 Cd N8 O7 -","- C132 H128 Cd4 N32 O28 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0796","0.0573","","","0.1418","0.1606","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219391","23.89","0.0003","13.3719","0.0001","23.1855","0.0003","90","","101.232","0.001","90","","7264.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl N12 Ni2 O24 Ta -","- C66 H60 Cl N12 Ni2 O24 Ta -","- C264 H240 Cl4 N48 Ni8 O96 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0517","0.05","","","0.1406","0.1419","","","","","","1.094","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219393","9.2921","0.0003","12.8702","0.0003","18.9812","0.0005","84.66","0.002","75.969","0.002","85.056","0.002","2187.94","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 Ni2 O14 -","- C44 H34 N10 Ni2 O14 -","- C88 H68 N20 Ni4 O28 -","2","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0509","0.0432","","","0.1218","0.1352","","","","","","1.059","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219407","7.3985","0.0005","7.516","0.0005","13.5827","0.0009","100.737","0.001","93.491","0.001","103.171","0.001","718.32","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.052","0.0437","","","0.1327","0.1384","","","","","","1.074","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219408","8.0716","0.0009","9.9236","0.0012","11.1322","0.0013","65.872","0.001","80.149","0.002","74.023","0.002","780.6","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.0645","0.0575","","","0.1665","0.1754","","","","","","1.089","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219409","7.811","0.002","12.55","0.004","16.146","0.005","94.579","0.005","91.539","0.004","98.774","0.005","1558","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N8 O4 -","- C33 H34 N8 O4 -","- C66 H68 N16 O8 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.097","0.0645","","","0.1692","0.1986","","","","","","0.903","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219429","5.2593","0.0014","13.1","0.04","4.7408","0.001","90","","94.32","0.03","90","","325.7","1","293","2","293","2","","","6200000","50000","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1544","0.1358","","","0.4099","0.4384","","","","","","2.091","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219431","9.671","0.002","16.721","0.003","9.76","0.002","90","","94.855","0.004","90","","1572.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Coordination polymer","","","- C14 H14 Cu N4 O4 S -","- C14 H14 Cu N4 O4 S -","- C56 H56 Cu4 N16 O16 S4 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.0854","0.0535","","","0.1265","0.1625","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219432","9.927","0.005","9.945","0.005","11.752","0.005","94.242","0.005","104.517","0.005","98.603","0.005","1103","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","coordination polymer","","","- C24 H18 Cu N4 O4 S -","- C24 H18 Cu N4 O4 S -","- C48 H36 Cu2 N8 O8 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71069","MoKα","","0.0856","0.0574","","","0.1414","0.1978","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219433","10.07","0.005","10.681","0.006","18.871","0.012","85.22","0.02","74.62","0.02","71.56","0.02","1856.5","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Coordination Polymer","","","- C38 H28 Cu2 N4 O8 S -","- C38 H28 Cu2 N4 O8 S -","- C76 H56 Cu4 N8 O16 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71075","MoKα","","0.1053","0.0948","","","0.1834","0.1894","","","","","","1.187","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219434","16.724","0.003","15.975","0.003","18.456","0.004","90","","91.46","0.03","90","","4929.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination Polymer","","","- C48 H44 Cu2 N8 O13 S2 -","- C48 H36 Cu2 N8 O9 S2 -","- C192 H144 Cu8 N32 O36 S8 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.1611","0.0734","","","0.1926","0.228","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219455","9.6655","0.0019","11.002","0.002","15.304","0.003","108.95","0.03","95.14","0.03","109.32","0.03","1416.7","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H28 O22 U2 -","- C16 H10 O13 U2 -","- C32 H20 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0775","0.0521","","","0.1405","0.1778","","","","","","1.108","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219456","10.663","0.002","11.09","0.002","14.718","0.003","106.88","0.03","95.76","0.03","112.99","0.03","1487.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N3 O18 U2 -","- C22 H26 N3 O18 U2 -","- C44 H52 N6 O36 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0461","0.0379","","","0.0934","0.0988","","","","","","1.073","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219457","9.6416","0.0019","10.973","0.002","15.997","0.003","109.52","0.03","91.56","0.03","109.61","0.03","1484","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 O13 U2 -","- C22 H28 N3 O13 U2 -","- C44 H56 N6 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.1189","0.0761","","","0.1603","0.198","","","","","","1.023","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219458","19.703","0.004","9.5197","0.0019","20.127","0.004","90","","106.26","0.03","90","","3624.2","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 O31 U2 -","- C16 H10 O15 U2 -","- C64 H40 O60 U8 -","4","0.5","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0874","0.0576","","","0.1451","0.1917","","","","","","1.153","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219459","16.7454","0.0009","8.159","0.0005","20.5264","0.0011","90","","96.749","0.001","90","","2785","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Ag2 N4 O4 -","- C31 H26 Ag2 N4 O4 -","- C124 H104 Ag8 N16 O16 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0319","0.0265","","","0.0661","0.0701","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219460","10.931","0.002","11.727","0.002","11.928","0.002","98.983","0.003","101.005","0.002","115.316","0.003","1307.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N5 O7 -","- C27 H25 Cd N5 O7 -","- C54 H50 Cd2 N10 O14 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.1119","0.0624","","","0.1268","0.1644","","","","","","0.974","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219461","9.5556","0.0004","12.1747","0.0002","12.9664","0.0003","84.089","0.002","89.206","0.003","88.552","0.002","1499.87","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br4 Cd N4 O5 -","- C27 H22 Br4 Cd N4 O5 -","- C54 H44 Br8 Cd2 N8 O10 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.062","0.0541","","","0.1431","0.1476","","","","","","1.127","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219462","9.3237","0.0004","11.4454","0.0005","13.6744","0.0006","66.862","0.004","78.859","0.003","85.704","0.004","1316.57","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O9 Zn2 -","- C29 H24 N4 O9 Zn2 -","- C58 H48 N8 O18 Zn4 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0327","0.026","","","0.0614","0.0645","","","","","","1.035","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219463","13.8342","0.0009","20.8728","0.0013","14.2205","0.0009","90","","112.779","0.001","90","","3786","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 N4 O8 Zn2 -","- C40 H33 N4 O7 Zn2 -","- C160 H132 N16 O28 Zn8 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0619","0.0387","","","0.0874","0.0943","","","","","","1.003","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219464","11.7886","0.0005","9.8051","0.0004","12.5957","0.0008","90","","93.596","0.005","90","","1453.05","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 Br4 N4 O5 Zn -","- C27 H22 Br4 N4 O5 Zn -","- C54 H44 Br8 N8 O10 Zn2 -","2","0.5","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0418","0.0321","","","0.0716","0.0771","","","","","","1.045","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219466","15.3327","0.0004","9.5934","0.0002","15.4363","0.0004","90","","97.199","0.002","90","","2252.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Be2 N2 O16 P4 -","- C12 H20 Be2 N2 O16 P4 -","- C48 H80 Be8 N8 O64 P16 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0902","0.0888","","","0.25","0.2515","","","","","","1.066","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219467","22.8218","0.0003","21.5546","0.0003","9.492","0.0001","90","","91.3","0.001","90","","4668.05","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Be2 N2 O16 P4 -","- C14 H21 Be2 N2 O16 P4 -","- C112 H168 Be16 N16 O128 P32 -","8","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.068","0.0631","","","0.1747","0.1812","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219469","4.8173","0.0003","12.0871","0.0007","12.6085","0.0009","62.332","0.007","79.518","0.005","84.052","0.005","639.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Be3 N O13 P3 -","- C5 H6 Be3 N O13 P3 -","- C10 H12 Be6 N2 O26 P6 -","2","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0804","0.0765","","","0.2028","0.2092","","","","","","1.076","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219470","10.42385","0.00017","10.42385","0.00017","21.7533","0.0002","90","","90","","120","","2046.97","0.05","295","","295","","","","","","","","","3","P 31","P 31","144","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","2","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","1.5418","CuKα","","","","","","","","","13.4694","4.3639","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219471","5.55795","0.00014","7.25941","0.00012","7.726","0.0002","84.431","0.002","71.913","0.003","80.163","0.002","291.642","0.013","295","","295","","","","","","","","","3","P -1","-P 1","2","pyrimidine-2-carboximidamide","pyrimidine-2-carboximidamide","","- C5 H6 N4 -","- C5 H6 N4 -","- C10 H12 N8 -","2","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","16.3048","93.25","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219475","10.0139","0.0007","11.6798","0.0009","17.7036","0.0013","82.36","0.001","87.038","0.001","69.44","0.001","1921.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Cl3 N4 O8 -","- C41 H39 Cl3 N4 O8 -","- C82 H78 Cl6 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0766","0.0479","","","0.1163","0.1347","","","","","","1.006","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219476","11.2616","0.0007","12.427","0.0008","15.9572","0.001","68.17","0.001","74.522","0.001","65.9","0.001","1874.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N4 O8 -","- C41 H40 Cl2 N4 O8 -","- C82 H80 Cl4 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0722","0.0566","","","0.1803","0.2031","","","","","","1.07","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219477","8.7063","0.001","11.0579","0.0013","20.271","0.002","99.383","0.002","98.246","0.002","95.472","0.002","1891.4","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O9 -","- C41 H42 N4 O9 -","- C82 H84 N8 O18 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0857","0.0632","","","0.19","0.2025","","","","","","1.096","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219478","9.9019","0.0012","14.5729","0.0018","27.372","0.003","94.424","0.002","97.048","0.002","100.801","0.002","3830.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O9.5 -","- C43 H44 N4 O9.5 -","- C172 H176 N16 O38 -","4","2","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0692","0.0547","","","0.1576","0.1771","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219479","13.3706","0.0017","24.587","0.003","13.486","0.0017","90","","117.75","0.002","90","","3923.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O9 -","- C42 H42 N4 O9 -","- C168 H168 N16 O36 -","4","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.1003","0.0668","","","0.1783","0.211","","","","","","1.017","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219480","8.3355","0.0007","10.7168","0.0009","19.0538","0.0018","90","","95.094","0.001","90","","1695.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N2 O10 Zn2 -","- C38 H24 N2 O10 Zn2 -","- C76 H48 N4 O20 Zn4 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0869","0.0425","","","0.0729","0.0846","","","","","","0.879","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219481","12.4477","0.001","11.2748","0.0007","13.6629","0.0016","90","","107.632","0.002","90","","1827.4","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 N2 Ni O14 -","- C38 H34 N2 Ni O14 -","- C76 H68 N4 Ni2 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.1014","0.0535","","","0.094","0.1207","","","","","","1.042","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219498","11.7715","0.0005","13.0448","0.0007","16.0517","0.0006","90","","101.761","0.004","90","","2413.1","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N6 O7 Zn2 -","- C46 H32 Cl4 N6 O7 Zn2 -","- C92 H64 Cl8 N12 O14 Zn4 -","2","0.5","","Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior","CrystEngComm","2015","17","11","2353","","10.1039/C4CE02507E","","","1.54184","CuKα","","0.0658","0.0568","","","0.1688","0.1801","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219499","52.623","0.003","52.623","0.003","52.623","0.003","90","","90","","90","","145723","14","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C58 H45.33 N2 O36.17 Zn8 -","- C58 H21 N2 O36.1667 Zn8 -","- C2784 H1008 N96 O1736 Zn384 -","48","1","","Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming","Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages","CrystEngComm","2015","17","9","1923","","10.1039/C4CE02415J","","","0.71073","MoKα","","0.1423","0.086","","","0.2331","0.3012","","","","","","1.096","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219502","5.38","0.0002","20.4924","0.0011","6.4026","0.0003","90","","101.745","0.005","90","","691.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0387","0.03","","","0.064","0.0687","","","","","","1.048","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219504","10.4947","0.001","11.9","0.0011","16.836","0.002","76.943","0.01","81.326","0.01","68.873","0.009","1905","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C66 H132 N12 O24 -","6","3","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.1017","0.054","","","0.1059","0.1144","","","","","","0.905","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219505","16.646","0.006","18.345","0.007","16.309","0.006","90","","108.893","0.004","90","","4712","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N4 O20 Zn3 -","- C44 H42 N4 O20 Zn3 -","- C176 H168 N16 O80 Zn12 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0687","0.0473","","","0.1199","0.1342","","","","","","0.954","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219506","12.145","0.011","30.72","0.03","22.75","0.02","90","","94","0.012","90","","8467","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 O25 Zn5 -","- C52 H34 N2 O25 Zn5 -","- C208 H136 N8 O100 Zn20 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0792","0.0619","","","0.1885","0.2021","","","","","","0.934","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219515","7.1603","0.0002","7.2376","0.0002","7.495","0.0003","63.2313","0.0014","69.7053","0.0014","64.984","0.0015","308.331","0.018","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0359","0.0313","","","0.0815","0.0848","","","","","","1.018","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219516","7.3267","0.0002","6.6413","0.0002","12.6512","0.0004","90","","92.2254","0.0015","90","","615.13","0.03","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0284","0.0254","","","0.0743","0.0764","","","","","","1.039","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219563","7.516","0.004","13.068","0.006","14.645","0.007","90","","99.759","0.011","90","","1417.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu4 N6 O18 -","- C24 H24 Cu4 N6 O18 -","- C48 H48 Cu8 N12 O36 -","2","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0905","0.0645","","","0.1527","0.1762","","","","","","1.074","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219564","6.895","0.003","8.881","0.004","13.473","0.006","98.359","0.011","99.914","0.012","94.388","0.009","799.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","1","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0996","0.071","","","0.1699","0.1924","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219565","8.4824","0.0017","11.011","0.002","18.583","0.004","78.75","0.03","81.03","0.03","69.88","0.03","1591","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd3 N6 O18 -","- C24 H26 Cd3 N6 O18 -","- C48 H52 Cd6 N12 O36 -","2","1","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.71075","MoKα","","0.0584","0.0434","","","0.1023","0.1102","","","","","","1.063","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219566","7.052","0.002","8.324","0.003","13.41","0.004","90","","102.299","0.006","90","","769.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LIGAND ZWITTER ION","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0602","0.0486","","","0.1357","0.1669","","","","","","1.165","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219567","8.491","0.0017","8.041","0.0016","18.847","0.004","90","","101.16","0.03","90","","1262.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Zn monomer","","","- C7 H13 Cl N2 O7 Zn -","- C7 H13 Cl N2 O7 Zn -","- C28 H52 Cl4 N8 O28 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0455","0.0397","","","0.1079","0.1135","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219569","7.9324","0.0013","8.4897","0.0014","10.8444","0.0018","80.027","0.003","72.51","0.003","64.679","0.002","628.78","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ZN DIMER","","","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","1","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0595","0.0534","","","0.1627","0.1792","","","","","","1.091","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219570","15.075","0.002","8.3079","0.0012","16.676","0.003","90","","92.8","0.003","90","","2086","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zINC NITRATE MONOMER","","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C56 H96 N16 O52 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0713","0.0516","","","0.1324","0.1726","","","","","","1.143","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219571","8.8373","0.0008","13.3995","0.0008","13.411","0.001","90","","91.947","0.002","90","","1587.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd DDII","","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C56 H56 Cd4 N16 O32 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0366","0.0316","","","0.0752","0.1078","","","","","","1.252","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219572","23.7739","0.0006","16.0647","0.0003","11.8936","0.0003","90","","99.029","0.003","90","","4486.13","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H56 N16 S10 Sn3 -","- C16 H56 N16 S10 Sn3 -","- C64 H224 N64 S40 Sn12 -","4","0.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0538","0.0369","","","0.0721","0.0785","","","","","","1.051","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219585","11.6044","0.0004","13.1169","0.0004","20.4496","0.0009","99.347","0.002","93.793","0.002","113.837","0.002","2779.28","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mo12 N12 O42 Si -","- C24 H28 Mo12 N12 O42 Si -","- C48 H56 Mo24 N24 O84 Si2 -","2","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0599","0.0382","","","0.0742","0.0825","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219586","13.1126","0.0015","16.1764","0.0019","17.1279","0.0015","90","","123.896","0.006","90","","3015.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu Mo4 N8 O13 -","- C16 H24 Cu Mo4 N8 O13 -","- C64 H96 Cu4 Mo16 N32 O52 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.1062","0.0573","","","0.1219","0.1441","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219587","23.3171","0.0013","15.7546","0.0009","12.0657","0.0007","90","","94.949","0.001","90","","4415.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H59 Mo12 N27 O45 Si -","- C54 H59 Mo12 N27 O45 Si -","- C108 H118 Mo24 N54 O90 Si2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0632","0.0514","","","0.1396","0.1479","","","","","","1.061","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219588","7.068","0.0004","10.3127","0.0005","14.2953","0.0007","81.736","0.003","77.874","0.002","70.655","0.002","958.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","((1Z)-N-(benzylcarbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H21 Fe N3 S -","- C20 H21 Fe N3 S -","- C40 H42 Fe2 N6 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0366","0.0296","","","0.0745","0.0786","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219589","19.7141","0.0014","7.0263","0.0004","28.099","0.002","90","","90.386","0.002","90","","3892.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 Cl Fe N3 S -","- C20 H20 Cl Fe N3 S -","- C160 H160 Cl8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0589","0.0358","","","0.0788","0.0895","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219590","7.1685","0.0003","10.3397","0.0004","14.596","0.0006","80.533","0.002","81.113","0.001","70.067","0.002","997.53","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","((1Z)-N-((4-methoxybenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C21 H23 Fe N3 O S -","- C21 H23 Fe N3 O S -","- C42 H46 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0416","0.0306","","","0.0735","0.0799","","","","","","1.045","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219591","18.8634","0.0013","7.1602","0.0005","27.7613","0.0018","90","","92.83","0.004","90","","3745","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-fluorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0609","0.0347","","","0.0714","0.083","","","","","","1.026","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219592","19.0887","0.0009","7.2037","0.0003","27.4267","0.0012","90","","91.056","0.002","90","","3770.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((4-flourobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0448","0.0313","","","0.0718","0.0782","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219603","23.286","0.002","17.2577","0.0016","18.2221","0.0017","90","","126.661","0.003","90","","5874.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd2 N5 O12 -","- C21 H23 Cd2 N5 O12 -","- C168 H184 Cd16 N40 O96 -","8","1","","Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Yao, Qing-Xia; Du, Yu-Chang; Dou, Jian-Min","A new Cd(ii)-based metal‒organic framework for highly sensitive fluorescence sensing of nitrobenzene","CrystEngComm","2015","17","12","2459","","10.1039/C5CE00162E","","","0.71073","MoKα","","0.1442","0.0707","","","0.1428","0.1616","","","","","","1.009","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219611","10.7259","0.0009","14.2208","0.0012","14.8907","0.0012","92.508","0.001","93.72","0.001","98.825","0.001","2236.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 N6 O8 -","- C44 H42 Cl6 N6 O8 -","- C88 H84 Cl12 N12 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0782","0.0637","","","0.1797","0.1951","","","","","","1.065","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219612","10.8333","0.0015","14.2199","0.0019","15.066","0.002","93.122","0.002","108.057","0.002","99.045","0.002","2165.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 Cl3 F10 N4 O8 -","- C45 H33 Cl3 F10 N4 O8 -","- C90 H66 Cl6 F20 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0876","0.0592","","","0.1666","0.1893","","","","","","1.157","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219613","11.0037","0.0013","13.2032","0.0014","17.428","0.003","89.128","0.002","76.376","0.002","72.207","0.011","2338.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 N6 O10 -","- C46 H46 Cl6 N6 O10 -","- C92 H92 Cl12 N12 O20 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1276","0.107","","","0.2451","0.2575","","","","","","1.136","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219614","11.1774","0.0014","13.9112","0.0018","26.663","0.003","90","","97.601","0.002","90","","4109.4","0.9","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl3 N4 O8 -","- C45 H39 Cl3 N4 O8 -","- C180 H156 Cl12 N16 O32 -","4","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0489","0.0381","","","0.0987","0.104","","","","","","1.083","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219615","12.9379","0.0012","13.0294","0.0012","15.7092","0.0014","114.083","0.001","93.522","0.001","111.344","0.001","2182.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl3 F2 N3 O8.5 -","- C47 H41 Cl3 F2 N3 O8.5 -","- C94 H82 Cl6 F4 N6 O17 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0671","0.055","","","0.1622","0.1746","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219616","13.1674","0.0015","13.8587","0.0016","15.664","0.0018","64.005","0.002","85.984","0.002","67.813","0.002","2363.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H43.5 Cl4.5 N4 O8 -","- C53.5 H43.5 Cl4.52 N4 O8 -","- C107 H87 Cl9.04 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0965","0.0784","","","0.2216","0.2403","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219617","10.9368","0.0013","14.8456","0.0018","15.7583","0.0019","71.07","0.002","89.029","0.002","69.365","0.002","2251.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 Cl3 N4 O8 -","- C49 H43 Cl3 N4 O8 -","- C98 H86 Cl6 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1059","0.0565","","","0.1485","0.1818","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219639","5.2162","0.0004","12.3693","0.0009","13.1192","0.0009","90","","99.065","0.003","90","","835.89","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine form I","2-methyl-4-amino-quinoline form I","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.1001","0.1062","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219641","8.2583","0.0007","9.0938","0.0007","9.1385","0.0007","88.094","0.005","77.372","0.005","80.171","0.005","659.86","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-bromopyridine)","","- C12 H8 Br Cl N2 O4 -","- C12 H8 Br Cl N2 O4 -","- C24 H16 Br2 Cl2 N4 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0727","0.0562","","","0.1446","0.1579","","","","","","1.007","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219642","9.8994","0.0003","11.937","0.0004","13.4905","0.0006","110.222","0.002","96.641","0.002","107.059","0.001","1387.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-bromopyridine)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C48 H36 Br4 Cl4 N12 O16 -","4","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0513","0.0385","","","0.1038","0.1081","","","","","","0.993","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219643","7.0984","0.0002","24.0534","0.0007","15.7748","0.0005","90","","93.424","0.002","90","","2688.59","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-chloropyridine)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C96 H72 Cl16 N24 O32 -","8","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0516","0.0344","","","0.0818","0.0873","","","","","","0.985","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219645","6.435","0.0002","10.3354","0.0003","11.2546","0.0004","98.577","0.002","105.074","0.001","98.022","0.002","702.11","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-3-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0333","0.0279","","","0.0709","0.0729","","","","","","0.986","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219646","6.1583","0.0002","9.9176","0.0002","11.1477","0.0003","83.332","0.002","76.262","0.001","77.053","0.001","643.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-chloro-3-hydroxypyridine)","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0389","0.0281","","","0.0723","0.0783","","","","","","1.014","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219647","3.9305","0.0002","12.4261","0.0006","13.8457","0.0007","94.312","0.002","91.431","0.002","96.374","0.002","669.77","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0375","0.029","","","0.0661","0.0689","","","","","","0.907","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7219648","3.8601","0.0002","12.3629","0.0006","13.9025","0.0007","93.742","0.002","91.893","0.002","96.066","0.002","657.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-chloropyridinium)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0642","0.0422","","","0.0896","0.0978","","","","","","0.92","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219649","15.5907","0.0012","25.242","0.002","7.1987","0.0006","90","","100.654","0.005","90","","2784.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0591","0.0381","","","0.0933","0.1016","","","","","","0.982","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219651","5.6328","0.0007","7.7579","0.0009","28.178","0.004","90","","92.324","0.007","90","","1230.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenyl thiourea","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0562","0.0428","","","0.1002","0.1066","","","","","","1.024","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219653","8.2109","0.0005","25.4709","0.0018","12.5244","0.0009","90","","96.054","0.002","90","","2604.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(4-nitrophenyl)thiourea","","","- C13 H10 N4 O4 S -","- C13 H10 N4 O4 S -","- C104 H80 N32 O32 S8 -","8","2","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0569","0.0502","","","0.1416","0.1463","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219654","8.41","0.006","24.362","0.018","11.143","0.008","90","","106.286","0.007","90","","2191","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitropheny)-3-phenylurea TEACl","","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.057","0.045","","","","0.046","","","","","","1.831","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219655","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.051","0.035","","","","0.045","","","","","","1.746","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219656","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","1,3-bis(4-nitrophenyl)thiourea TEA CL","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.056","0.04","","","","0.057","0.054","","","","","2.556","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219657","8.393","0.002","24.366","0.006","11.151","0.003","90","","106.57","0.005","90","","2185.7","1","100","2","100","2","","","","","","","Isabelle L Kirby","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenylurea with TEACl","1-(4-nitrophenyl)-3-phenylurea with TEACl","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0869","0.0714","","","0.1555","0.1654","","","","","","1.096","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219658","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","Isabelle Kirby","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0341","0.0336","","","0.1082","0.1088","","","","","","1.289","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219659","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0444","0.0436","","","0.1371","0.1377","","","","","","1.632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219669","8.1858","0.0002","11.5886","0.0002","12.1497","0.0002","90","","108.44","0.001","90","","1093.37","0.04","296","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0433","0.0409","","","0.1071","0.1087","","","","","","1.069","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219670","8.0741","0.0002","8.8856","0.0002","10.7962","0.0003","94.179","0.001","107.25","0.001","108.943","0.001","687.28","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0333","","","0.0854","0.088","","","","","","1.081","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219671","8.1184","0.0002","9.9587","0.0003","10.905","0.0003","106.597","0.002","108.702","0.001","100.101","0.002","764.91","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0449","0.0421","","","0.1199","0.1237","","","","","","1.097","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219672","10.8407","0.0002","7.9198","0.0002","17.3513","0.0004","90","","96.968","0.001","90","","1478.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene pyrrolidine disolvate","","- C32 H36 N2 O2 S4 -","- C32 H36 N2 O2 S4 -","- C64 H72 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0357","","","0.0959","0.097","","","","","","1.061","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219673","7.9103","0.0001","8.5838","0.0002","11.5231","0.0002","109.713","0.001","90.629","0.001","115.931","0.001","650.7","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene dioxane solvate","","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0349","0.0324","","","0.0785","0.0795","","","","","","1.042","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219674","8.3478","0.0018","8.0618","0.0017","32.729","0.007","90","","90.315","0.006","90","","2202.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.1203","0.0556","","","0.1037","0.12","","","","","","0.938","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219675","8.2873","0.001","10.6627","0.0012","12.9725","0.0018","97.625","0.007","107.153","0.007","93.365","0.009","1079.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.045","0.0356","","","0.0843","0.0886","","","","","","1.06","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219676","10.6246","0.0003","12.9366","0.0003","16.5166","0.0005","107.177","0.001","93.355","0.002","97.558","0.001","2138.65","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","2","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0994","0.0378","","","0.1076","0.1194","","","","","","0.939","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219677","7.7444","0.0007","8.2359","0.0008","8.8697","0.0008","66.62","0.009","71.005","0.008","82.957","0.008","490.99","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-adipate)-bis(pyridine-4-aldoxime)copper(II)}","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","1","0.5","","Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.","Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}","CrystEngComm","2015","17","12","2450","","10.1039/C4CE02444C","","","0.71073","MoKα","","0.0434","0.0393","","","0.0948","0.1","","","","","","0.999","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219680","8.3591","0.0003","10.4196","0.0007","19.0455","0.0009","88.407","0.005","88.481","0.003","76.34","0.004","1610.95","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","1","0.5","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0749","0.0468","","","0.1082","0.1247","","","","","","0.991","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219681","8.404","0.0005","11.693","0.001","15.24","0.001","97.881","0.006","93.354","0.005","96.81","0.006","1468.73","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1557","0.0705","","","0.1271","0.1574","","","","","","1.01","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219682","9.188","0.005","13.284","0.007","14.477","0.008","68.21","0.05","81.24","0.04","75.69","0.04","1586.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1287","0.0654","","","0.1146","0.1365","","","","","","1.038","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219685","14.0897","0.0003","4.8183","0.0001","22.6757","0.0003","90","","90.607","0.002","90","","1539.33","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0497","0.0465","","","0.1249","0.1289","","","","","","1.077","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219688","14.2831","0.0002","29.8625","0.0004","18.2631","0.0003","90","","106.968","0.0017","90","","7450.6","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H74 Ce2 N4 O24 -","- C81 H67 Ce2 N4 O24 -","- C324 H268 Ce8 N16 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0449","0.038","","","0.1012","0.1063","","","","","","1.029","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219689","14.26463","0.00015","29.8504","0.0003","18.2812","0.0002","90","","107.012","0.0012","90","","7443.61","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Pr2 -","- C79.5 H63.5 N3.5 O24 Pr2 -","- C318 H254 N14 O96 Pr8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0514","0.0369","","","0.0812","0.0873","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219690","14.21191","0.00016","29.7396","0.0003","18.3087","0.0003","90","","107.002","0.0014","90","","7400.11","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 Nd2 O24 -","- C79.5 H63 N3.5 Nd2 O24 -","- C318 H252 N14 Nd8 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0558","0.0409","","","0.0988","0.1067","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219691","14.1785","0.0002","29.6106","0.0004","18.3573","0.0003","90","","107.029","0.0017","90","","7369.1","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Sm2 -","- C79.5 H64 N3.5 O24 Sm2 -","- C318 H256 N14 O96 Sm8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.062","0.0393","","","0.0829","0.0917","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219692","14.1379","0.00015","29.5535","0.0003","18.3735","0.0003","90","","107.03","0.0013","90","","7340.29","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Eu2 N3.5 O24 -","- C79.5 H66 Eu2 N3.5 O24 -","- C318 H264 Eu8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0475","0.0356","","","0.0762","0.081","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219693","14.1188","0.00017","29.5116","0.0003","18.3851","0.0003","90","","107.017","0.0014","90","","7325.1","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Gd2 N3.5 O24 -","- C79.5 H67 Gd2 N3.5 O24 -","- C318 H268 Gd8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0477","0.0342","","","0.0746","0.0802","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219694","14.0878","0.0003","29.4702","0.0007","18.4237","0.0004","90","","107.034","0.002","90","","7313.4","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Tb2 -","- C79.5 H66 N3.5 O24 Tb2 -","- C318 H264 N14 O96 Tb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0658","0.0387","","","0.0787","0.0872","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219695","14.042","0.003","29.367","0.006","18.456","0.004","90","","107.15","0.03","90","","7272","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Ho2 N3 O25 -","- C78 H69 Ho2 N3 O25 -","- C312 H276 Ho8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.71073","MoKα","","0.0824","0.0686","","","0.1334","0.1402","","","","","","1.168","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219696","14.0233","0.0004","29.311","0.0008","18.4183","0.0009","90","","107.095","0.004","90","","7236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Er2 N3 O25 -","- C78 H69 Er2 N3 O25 -","- C312 H276 Er8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0453","0.0358","","","0.0901","0.0954","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219697","14.0088","0.0004","29.2317","0.0006","18.4902","0.0005","90","","107.187","0.003","90","","7233.6","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 N3 O25 Yb2 -","- C78 H67 N3 O25 Yb2 -","- C312 H268 N12 O100 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.1236","0.0654","","","0.0991","0.1177","","","","","","1.008","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219701","7.4117","0.0004","12.1658","0.0006","14.2115","0.0007","85.918","0.003","77.087","0.003","77.944","0.003","1221.08","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O8 -","- C27 H25 N3 O8 -","- C54 H50 N6 O16 -","2","1","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.0693","0.0454","","","0.1023","0.1167","","","","","","1.024","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219702","41.1895","0.0011","20.6334","0.0004","27.0979","0.0008","90","","129.772","0.003","90","","17700.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H102 Cl6 Cu3 N18 O48 -","- C120 H102 Cl6 Cu3 N18 O48 -","- C480 H408 Cl24 Cu12 N72 O192 -","4","0.5","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.1775","0.0942","","","0.2682","0.2965","","","","","","0.951","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219715","12.1946","0.0007","12.5819","0.0009","14.6838","0.0009","72.43","0.004","69.157","0.004","62.887","0.004","1847.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","ch14268","Compound 3","","- C72 H44 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.1123","0.0563","","","0.1435","0.1966","","","","","","1.026","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219716","13.498","0.014","15.22","0.016","20.51","0.02","90.775","0.013","97.172","0.018","111.158","0.013","3891","7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","a15483","Compound 4","","- C114 H162 Mn6 N26 O52 S12 -","- C84 H72 Mn6 N16 O32 S12 -","- C84 H72 Mn6 N16 O32 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.2078","0.088","","","0.1794","0.1978","","","","","","0.912","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219717","22.739","0.005","16.038","0.003","9.7046","0.0019","90","","94","0.03","90","","3530.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","i14732","Compound 5","","- C28 H34 Mn2 N4 O15 S4 -","- C27.98 H29.94 Mn2 N4 O14.98 S4 -","- C111.92 H119.76 Mn8 N16 O59.92 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0503","0.0401","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219727","10.1894","0.0013","10.3988","0.0013","21.838","0.002","92.912","0.009","103.316","0.01","111.412","0.012","2072.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O11 Zn -","- C48 H36 N4 O11 Zn -","- C96 H72 N8 O22 Zn2 -","2","1","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.147","0.0647","","","0.0746","0.1058","","","","","","0.932","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219728","9.9601","0.0005","32.5682","0.0013","12.23","0.0005","90","","107.435","0.002","90","","3784.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66 Co3 N6 O24 -","- C86 H66 Co3 N6 O24 -","- C172 H132 Co6 N12 O48 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0633","0.0414","","","0.0831","0.0933","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219729","12.3741","0.0006","11.3562","0.0005","13.6838","0.0008","90","","107.309","0.002","90","","1835.81","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0639","0.0437","","","0.0951","0.1084","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219730","5.4081","0.0002","15.5202","0.0008","13.3407","0.0006","90","","100.649","0.002","90","","1100.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-bis(3-methylimidazolium-1-yl)","1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate","","- C16 H28 B2 F8 N4 -","- C16 H28 B2 F8 N4 -","- C32 H56 B4 F16 N8 -","2","0.5","","Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P.","Energetic and topological insights into the supramolecular structure of dicationic ionic liquids","CrystEngComm","2015","17","15","2996","","10.1039/C5CE00073D","","","0.71073","MoKα","","0.0974","0.0686","","","0.2104","0.2399","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219755","17.577","0.003","11.745","0.002","6.8516","0.0014","90","","98.07","0.01","90","","1400.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piroxicam: Form Alpha2","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.1357","0.1004","","","0.2381","0.2586","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219769","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219770","10.9995","0.0012","8.8942","0.001","11.9732","0.0014","90","","108.727","0.002","90","","1109.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br2 Cu N8 O2 -","- C18 H20 Br2 Cu N8 O2 -","- C36 H40 Br4 Cu2 N16 O4 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0489","0.0426","","","0.0918","0.0943","","","","","","1.075","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219771","10.4169","0.0009","21.292","0.002","10.4629","0.0009","90","","90.216","0.002","90","","2320.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cu F6 N8 O2 Si -","- C18 H24 Cu F6 N8 O2 Si -","- C72 H96 Cu4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0912","0.0829","","","0.1865","0.1907","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219772","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219774","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219775","6.512","0.001","6.901","0.001","9.328","0.002","95.448","0.01","108.706","0.008","108.09","0.008","368.51","0.12","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.027","0.026","","","0.0688","0.07","","","","","","1.092","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219776","12.1518","0.0008","18.1413","0.0011","9.5816","0.0006","90","","113.503","0.002","90","","1937","0.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 O18 -","- C10 H22 Cu2 O18 -","- C40 H88 Cu8 O72 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0266","0.0235","","","0.0593","0.0608","","","","","","1.084","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219778","7.7391","0.0015","10.6004","0.0019","10.6159","0.0019","112.867","0.01","90.411","0.013","104.192","0.01","772.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cu K2 O12 -","- C10 H8 Cu K2 O12 -","- C20 H16 Cu2 K4 O24 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.036","0.0285","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219779","6.894","0.0005","16.3377","0.0011","12.9381","0.0009","90","","99.666","0.002","90","","1436.56","0.17","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cu Na2 O12 -","- C10 H10 Cu Na2 O12 -","- C40 H40 Cu4 Na8 O48 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0208","0.0205","","","0.0564","0.0565","","","","","","1.157","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219780","11.3114","0.001","11.5464","0.001","11.7074","0.0011","80.13","0.002","66.441","0.002","71.052","0.002","1324.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1086","0.0735","","","0.1753","0.1927","","","","","","0.984","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219781","11.5053","0.0011","11.5543","0.0011","12.016","0.0011","78.671","0.002","64.251","0.002","71.747","0.002","1362.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0588","0.052","","","0.1342","0.1368","","","","","","1.055","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219782","8.2343","0.0007","19.5788","0.0016","10.9336","0.0009","90","","100.371","0.002","90","","1733.9","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu3 N12 O18 -","- C20 H46 Cu3 N12 O18 -","- C40 H92 Cu6 N24 O36 -","2","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0651","0.0451","","","0.0904","0.0981","","","","","","1.094","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219783","8.9464","0.0009","11.1622","0.0011","17.478","0.0017","82.36","0.002","81.293","0.002","82.365","0.002","1698.6","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1394","0.0638","","","0.121","0.1489","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219784","8.798","0.0003","10.648","0.0004","19.147","0.0008","94.84","0.003","90.453","0.003","110.355","0.004","1674.38","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cu2 N4 O11 -","- C33 H34 Cu2 N4 O11 -","- C66 H68 Cu4 N8 O22 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.075","0.0451","","","0.0963","0.1039","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219789","12.799","0.0019","6.5794","0.0008","25.265","0.004","90","","95.749","0.008","90","","2116.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0384","0.0319","","","0.0847","0.0887","","","","","","1.053","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219790","5.9148","0.0003","7.4926","0.0004","23.9195","0.0013","90","","93.722","0.002","90","","1057.81","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0299","0.0265","","","0.0744","0.078","","","","","","1.055","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219791","25.7588","0.0017","3.7207","0.0003","22.6104","0.0016","90","","90.424","0.004","90","","2166.9","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0813","0.0698","","","0.2005","0.2283","","","","","","1.136","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219793","25.983","0.002","7.316","0.0006","24.834","0.002","90","","113.707","0.005","90","","4322.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C208 H112 F64 N16 -","16","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0794","0.0435","","","0.0961","0.111","","","","","","1.032","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219794","7.2368","0.0005","6.6503","0.0005","22.2218","0.0014","90","","97.167","0.003","90","","1061.11","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0288","0.0272","","","0.0733","0.0748","","","","","","1.057","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219797","6.8244","0.0006","7.6412","0.0007","10.8203","0.001","79.604","0.006","83.948","0.006","69.737","0.006","520.07","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0449","0.0392","","","0.1149","0.1299","","","","","","1.118","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219799","6.8223","0.0008","7.5505","0.0008","11.2975","0.0014","80.541","0.007","86.409","0.007","66.173","0.007","525.11","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0477","0.0342","","","0.0831","0.0909","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219801","16.497","0.002","3.7422","0.0004","17.009","0.002","90","","94.425","0.008","90","","1046.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0449","0.0336","","","0.0819","0.0887","","","","","","1.021","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219802","6.7242","0.0006","8.3077","0.0007","10.3309","0.0009","74.956","0.004","73.491","0.004","74.437","0.004","522.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0393","0.0329","","","0.0913","0.0961","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219805","3.7169","0.0006","11.5058","0.0019","12.53","0.002","97.022","0.011","93.644","0.011","91.313","0.012","530.51","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,4-difluoro-N-(2,4-difluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0671","0.0458","","","0.1103","0.1223","","","","","","1.043","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219807","6.8363","0.0004","13.8701","0.0008","11.6974","0.0006","90","","105.915","0.003","90","","1066.64","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0492","0.0373","","","0.0909","0.0975","","","","","","1.064","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219808","7.3598","0.001","12.5972","0.0014","12.669","0.0016","70.079","0.007","75.851","0.008","78.418","0.007","1061.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0763","0.0417","","","0.094","0.1096","","","","","","1.01","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219809","6.6472","0.0004","15.892","0.0009","10.0448","0.0005","90","","92.712","0.003","90","","1059.92","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0387","0.0322","","","0.0796","0.0835","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219810","13.7505","0.0004","3.7574","0.0001","26.3533","0.0007","90","","130.149","0.002","90","","1040.75","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0332","","","0.0872","0.0957","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219813","10.0995","0.0003","9.0827","0.0003","18.1054","0.0004","90","","141.529","0.001","90","","1033.23","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0333","","","0.0864","0.0918","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219814","6.7897","0.001","6.8031","0.0012","12.0624","0.0018","84.037","0.01","85.232","0.01","72.402","0.01","527.44","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.1013","0.0807","","","0.2227","0.2452","","","","","","1.106","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219815","7.345","0.002","21.755","0.006","13.731","0.004","90","","100.313","0.003","90","","2158.6","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0575","0.037","","","0.0788","0.0878","","","","","","1.041","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219816","7.092","0.002","30.276","0.01","10.124","0.003","90","","99.046","0.004","90","","2146.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1149","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219817","9.0642","0.001","19.594","0.002","12.6956","0.0015","90","","104.058","0.006","90","","2187.3","0.4","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl N3 O10.5 Zn -","- C16 H20 Cl N3 O10.5 Zn -","- C64 H80 Cl4 N12 O42 Zn4 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0715","0.0592","","","0.1404","0.1449","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219820","10.3751","0.0003","8.315","0.0003","23.5131","0.0011","90","","102.275","0.004","90","","1982.08","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl Cu N3 O7 -","- C17 H22 Cl Cu N3 O7 -","- C68 H88 Cl4 Cu4 N12 O28 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0685","0.0562","","","0.1456","0.1534","","","","","","1.072","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219823","16.939","0.0002","16.939","0.0002","33.5981","0.0006","90","","90","","90","","9640.3","0.2","100","1","100","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H28 Cl N3 O7 Zn -","- C20 H28 Cl N3 O7 Zn -","- C320 H448 Cl16 N48 O112 Zn16 -","16","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0933","0.0863","","","0.2584","0.2686","","","","","","1.069","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219824","9.421","0.0017","22.221","0.005","29.851","0.007","110.023","0.013","90.136","0.013","97.835","0.012","5809","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Cl4 N12 O34 Zn4 -","- C92 H128 Cl2 N12 O20 Zn4 -","- C184 H256 Cl4 N24 O40 Zn8 -","2","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.2524","0.1558","","","0.3696","0.4216","","","","","","1.016","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219830","12.47","0.003","15.441","0.003","15.443","0.006","90","","114.56","0.02","90","","2704.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl4 Fe3 N11 O6 -","- C50 H54 Cl4 Fe3 N11 O6 -","- C100 H108 Cl8 Fe6 N22 O12 -","2","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.1337","0.072","","","0.1918","0.2455","","","","","","0.863","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219835","11.705","0.005","13.456","0.005","18.636","0.005","95.216","0.005","90.707","0.005","109.834","0.005","2746.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N16 O12 Zn2 -","- C56 H40 N16 O8 Zn2 -","- C112 H80 N32 O16 Zn4 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.1063","0.0552","","","0.1056","0.1171","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219837","21.036","0.005","7.657","0.005","20.088","0.005","90","0.005","106.909","0.005","90","0.005","3096","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N8 O6 Zn -","- C34 H25 N8 O6 Zn -","- C136 H100 N32 O24 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0683","0.0395","","","0.0841","0.102","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219838","21.082","0.005","7.603","0.005","20.045","0.005","90","0.005","106.323","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co N8 O6 -","- C34 H25 Co N8 O6 -","- C136 H100 Co4 N32 O24 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0873","0.0447","","","0.0874","0.1115","","","","","","0.995","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219839","8.534","0.005","9.108","0.005","19.64","0.005","95.412","0.005","99.68","0.005","107.109","0.005","1421.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N10 O6 -","- C27 H25 Cd N10 O6 -","- C54 H50 Cd2 N20 O12 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.05","0.0398","","","0.1103","0.1253","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219840","9.778","0.005","18.632","0.005","15.6","0.005","90","0.005","92.111","0.005","90","0.005","2840.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N8 O5 -","- C32 H24 Cd N8 O5 -","- C128 H96 Cd4 N32 O20 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0563","0.0339","","","0.0671","0.0737","","","","","","0.987","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219841","21.5392","0.0007","14.2336","0.0004","7.7362","0.0002","90","","93.957","0.001","90","","2366.11","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0557","","","","","","1.084","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219842","28.2519","0.0003","28.2519","0.0003","12.3144","0.0003","90","","90","","90","","9829","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H16 Cd3 N2 O12 -","- C26 H16 Cd3 N2 O12 -","- C416 H256 Cd48 N32 O192 -","16","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","1.54184","CuKα","","0.0519","0.0388","","","0.0878","0.0955","","","","","","1.048","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219843","21.9803","0.0008","17.2195","0.0007","9.2491","0.0003","90","","105.929","0.002","90","","3366.3","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co2 N4 O13 -","- C36 H27 Co2 N4 O13 -","- C144 H108 Co8 N16 O52 -","4","0.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0559","0.0408","","","0.0965","0.1046","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219844","14.2195","0.0014","11.2318","0.0008","14.6122","0.0014","90","","100.353","0.01","90","","2295.7","0.4","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.62 N0.77 O0.92 Zn0.15 -","- C3.84615 H2.92308 N0.769231 O0.923077 Zn0.153846 -","- C100 H76 N20 O24 Zn4 -","26","6.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0549","0.0396","","","0.0977","0.1102","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219845","13.9673","0.0005","11.3875","0.0002","14.9718","0.0004","90","","98.332","0.003","90","","2356.17","0.11","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.57 H2.71 Cd0.14 N0.71 O0.86 -","- C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143 -","- C100 H76 Cd4 N20 O24 -","28","7","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0534","0.0323","","","0.0734","0.0861","","","","","","1.044","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219846","7.8766","0.0002","19.455","0.0005","13.3737","0.0004","90","","90.361","0.002","90","","2049.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N3 O6 -","- C22 H16 Co N3 O6 -","- C88 H64 Co4 N12 O24 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0711","0.0499","","","0.1169","0.1286","","","","","","1.069","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219847","7.6214","0.0011","17.281","0.002","12.3199","0.0016","90","","96.176","0.007","90","","1613.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cd N2 O5 -","- C18 H11 Cd N2 O5 -","- C72 H44 Cd4 N8 O20 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1582","0.1748","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219848","9.664","0.0019","11.505","0.002","14.704","0.003","83.42","0.03","74.84","0.03","84.16","0.03","1563.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N4 O11 U -","- C37 H24 N4 O11 U -","- C74 H48 N8 O22 U2 -","2","1","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","0.71073","MoKα","","0.0423","0.0386","","","0.1024","0.1048","","","","","","0.916","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219849","14.1475","0.0007","14.2138","0.0007","14.2205","0.0008","71.475","0.005","63.479","0.005","86.375","0.004","2415.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","1","0.5","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","1.54178","CuKα","","0.0711","0.0572","","","0.1158","0.1211","","","","","","1.103","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219850","46.64","0.07","12.447","0.018","31.37","0.04","90","","131.263","0.012","90","","13689","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Cd3 N16 O24 -","- C52 H47 Cd3 N16 O16 -","- C416 H376 Cd24 N128 O128 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1234","0.0898","","","0.2432","0.2685","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219851","10.8281","0.0003","11.4808","0.0004","15.8705","0.0004","90","","109.351","0.001","90","","1861.49","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd N4 O4 -","- C19 H20 Cd N4 O4 -","- C76 H80 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0368","0.0263","","","0.0566","0.0597","","","","","","1.042","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219852","10.667","0.006","11.908","0.006","13.161","0.007","90","","109.602","0.006","90","","1574.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N4 O4 -","- C16 H14 Cd N4 O4 -","- C64 H56 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0456","0.0373","","","0.0849","0.0901","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219853","8.63","0.02","10.32","0.02","13.12","0.03","94.84","0.02","107.4","0.02","110.62","0.02","1020","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cd N4 O5 -","- C19 H21 Cd N4 O5 -","- C38 H42 Cd2 N8 O10 -","2","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0945","0.0673","","","0.149","0.165","","","","","","1.036","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219855","4.8452","0.0004","10.3656","0.001","17.3307","0.0017","90","","97.778","0.004","90","","862.4","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71073","MoKα","","0.1137","0.0546","","","0.1075","0.127","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219856","40.33","0.09","4.629","0.013","20.38","0.05","90","","117.5","0.03","90","","3375","15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C136 H144 N32 O32 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1474","0.0772","","","0.1756","0.2322","","","","","","0.991","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219857","17.6812","0.0015","9.5252","0.0008","19.9837","0.0017","90","","98.363","0.002","90","","3329.8","0.5","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","form IIIp","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0836","0.0529","","","0.1182","0.1363","","","","","","1.035","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219858","24.851","0.003","9.4124","0.0013","29.215","0.004","90","","103.211","0.002","90","","6652.8","1.5","100","2","100","2","","","101.3","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","p-iso-propylcalix[4]arene","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C320 H384 O32 -","8","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0693","0.0601","","","0.1531","0.16","","","","","","1.021","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219859","9.4324","0.0011","15.3488","0.0018","23.578","0.003","90","","98.751","0.002","90","","3373.8","0.7","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","Form Ip","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.1424","0.0658","","","0.1386","0.1775","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219865","11.5446","0.0012","14.7733","0.0016","15.4797","0.0016","66.933","0.002","69.503","0.002","89.899","0.002","2247","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0949","0.0602","","","0.1404","0.1598","","","","","","1.087","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219866","12.1224","0.0015","13.4764","0.0015","14.2227","0.0017","105.086","0.002","111.688","0.002","105.602","0.002","1904.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0869","0.0491","","","0.1167","0.1332","","","","","","1.063","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219867","10.5428","0.0006","23.1328","0.0013","12.2375","0.0007","90","","101.333","0.001","90","","2926.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0457","0.0439","","","0.0919","0.093","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219868","26.3119","0.0019","10.3171","0.0007","23.8781","0.0017","90","","106.323","0.001","90","","6220.7","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag5 Mo12 N20 O45 P -","- C24 H16 Ag5 Mo12 N20 O40 P -","- C96 H64 Ag20 Mo48 N80 O160 P4 -","4","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0992","0.0847","","","0.2413","0.254","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219869","6.6762","0.0009","7.9864","0.0011","13.745","0.0019","78.535","0.002","84.941","0.002","76.907","0.002","698.86","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0787","0.0563","","","0.1378","0.1508","","","","","","1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219870","6.5863","0.0009","7.6421","0.0011","13.809","0.002","96.335","0.002","94.647","0.002","97.679","0.002","681.37","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0585","0.0439","","","0.0852","0.0911","","","","","","1.082","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219871","6.5961","0.0005","7.7866","0.0006","13.4353","0.0011","83.405","0.001","80.961","0.001","81.545","0.001","671.1","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0341","0.0287","","","0.0701","0.0727","","","","","","1.075","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219872","6.6953","0.0004","7.6428","0.0005","14.0935","0.0008","96.583","0.001","95.129","0.001","96.171","0.001","708.48","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0197","0.019","","","0.0468","0.0472","","","","","","1.004","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219873","6.6818","0.0009","7.6135","0.001","14.034","0.002","96.685","0.002","95.671","0.002","95.868","0.002","700.92","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0353","0.0318","","","0.0621","0.0642","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219874","18.685","0.008","11.722","0.005","9.244","0.004","90","","91.771","0.006","90","","2023.7","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 Cl Cu N4 O11 -","- C12 H10 Ba2 Cl Cu N4 O11 -","- C48 H40 Ba8 Cl4 Cu4 N16 O44 -","4","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0701","0.0684","","","0.2401","0.2451","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219875","7.7073","0.0007","8.5422","0.0008","10.0834","0.0009","94.55","0.001","105.335","0.001","95.427","0.001","633.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0401","0.0356","","","0.0863","0.0895","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219876","14.3621","0.0013","6.98","0.0006","15.7788","0.0015","90","","114.121","0.001","90","","1443.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cu N6 O24 Sr2 -","- C12 H24 Cu N6 O24 Sr2 -","- C24 H48 Cu2 N12 O48 Sr4 -","2","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0408","0.0299","","","0.0761","0.0819","","","","","","1.011","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219877","6.6503","0.0009","7.9533","0.0011","13.656","0.002","78.411","0.002","84.66","0.002","77.08","0.002","688.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0429","0.0373","","","0.0971","0.1015","","","","","","1.003","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219878","6.6133","0.0015","7.6512","0.0017","13.778","0.003","96.312","0.004","95.186","0.003","97.792","0.004","682.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0473","0.0365","","","0.082","0.0882","","","","","","1.008","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219879","18.895","0.005","5.769","0.003","26.82","0.006","90","","90.989","0.005","90","","2923.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ferrocenyl-2-(phenyl)thioethanone","","- C18 H16 Fe O S -","- C18 H16 Fe O S -","- C144 H128 Fe8 O8 S8 -","8","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0509","0.0337","","","0.0718","0.0779","","","","","","1.032","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219881","5.706","0.003","11.339","0.005","13.634","0.005","112.724","0.005","94.083","0.008","94.391","0.01","806.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-2-[4-(methoxyphenyl)thio]ethanone","","- C19 H18 Fe O2 S -","- C19 H18 Fe O2 S -","- C38 H36 Fe2 O4 S2 -","2","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.0336","0.0281","","","0.0679","0.0708","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219883","7.6287","0.0018","23.333","0.006","9.21","0.002","90","","108.146","0.009","90","","1557.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-2-[3-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1293","0.0505","","","0.0984","0.1241","","","","","","0.994","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219884","7.119","0.003","23.62","0.0008","9.661","0.002","90","","108.071","0.007","90","","1544.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-[2-(chlorophenyl)thio]ethanone (VII)","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0841","0.0513","","","0.109","0.1203","","","","","","1.047","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219894","8.0072","0.0005","11.8432","0.0009","13.3307","0.0009","96.449","0.006","106.074","0.006","97.869","0.006","1188.22","0.15","120","","120","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C22 H30 N4 O7 S -","- C22 H30 N4 O7 S -","- C44 H60 N8 O14 S2 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.156","0.0732","","","0.1353","0.1589","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219895","33.554","0.007","13.996","0.003","18.645","0.004","90","","100.54","0.03","90","","8608","3","293","2","293","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C336 H416 N64 O96 S16 -","16","2","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1291","0.0481","","","0.0749","0.0872","","","","","","0.841","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219896","7.937","0.0005","12.8236","0.001","13.4836","0.001","79.804","0.006","76.806","0.006","78.841","0.006","1298.15","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1452","0.1041","","","0.3058","0.3386","","","","","","1.161","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219897","15.9465","0.0006","18.9851","0.0004","17.161","0.0007","90","","111.552","0.004","90","","4832.2","0.3","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 Cl2 N6 O21 -","- C43 H64 Cl2 N6 O21 -","- C172 H256 Cl8 N24 O84 -","4","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.7107","MoKα","","0.0816","0.0665","","","0.1859","0.1971","","","","","","1.031","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219898","7.937","0.0005","12.824","0.001","13.485","0.001","79.8","0.006","76.802","0.006","78.839","0.006","1298.28","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20.5 H28 Br N3 O6.5 -","- C20.5 H28 Br1.0005 N3 O6.5 -","- C41 H56 Br2.001 N6 O13 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1581","0.1052","","","0.3065","0.3421","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219899","13.7359","0.0008","13.0043","0.0008","7.8727","0.0004","90","","94.636","0.006","90","","1401.67","0.14","330","1","330","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 Bi I4 N2 -","- C4 H7 Bi I4 N2 -","- C16 H28 Bi4 I16 N8 -","4","0.5","","Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.","Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid","CrystEngComm","2015","17","17","3286","","10.1039/C5CE00046G","","","0.71073","MoKα","","0.036","0.0261","","","0.0533","0.0551","","","","","","0.937","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219901","8.0326","0.0008","8.0754","0.001","12.745","0.002","84.19","0.014","88.36","0.014","76.009","0.01","798.07","0.18","413","2","413","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.092","0.0494","","","0.14","0.1507","","","","","","0.895","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219902","13.047","0.008","9.7","0.003","8.348","0.005","90","","129.31","0.09","90","","817.4","1.3","426","1","426","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","1","0.125","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.1015","0.0725","","","0.1977","0.2163","","","","","","0.961","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219934","12.9068","0.0005","23.7447","0.0009","38.817","0.0017","90","","96.451","0.001","90","","11820.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Cu N12 O83 P2 Ti2 W22 -","- C48 H92 Cu N12 O80 P2 Ti2 W22 -","- C192 H368 Cu4 N48 O320 P8 Ti8 W88 -","4","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.0918","0.0526","","","0.1068","0.1213","","","","","","1.006","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219935","14.6474","0.0009","19.8814","0.0012","21.9641","0.0014","78.874","0.001","88.113","0.001","75.659","0.001","6079.7","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H79 Cu N12 O80.5 P2 Ti2 W22 -","- C58 H76 Cu N12 O80.5 P2 Ti2 W22 -","- C116 H152 Cu2 N24 O161 P4 Ti4 W44 -","2","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1104","0.0645","","","0.1445","0.1882","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219936","15.9375","0.0009","16.0198","0.0009","23.1712","0.0014","90","","91.951","0.001","90","","5912.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 N24 O40 P W12 -","- C96 H80 Cu4 N24 O40 P W12 -","- C192 H160 Cu8 N48 O80 P2 W24 -","2","0.5","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1209","0.0481","","","0.0665","0.0831","","","","","","0.994","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219938","10.289","0.002","15.763","0.003","24.796","0.005","90","","112.65","0.03","90","","3711.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 O16 Zn2 -","- C28 H36 N4 O14 Zn2 -","- C112 H144 N16 O56 Zn8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0915","0.067","","","0.1959","0.2101","","","","","","1.091","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219939","19.005","0.004","13.683","0.003","14.521","0.003","90","","119.11","0.03","90","","3299.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O10 Zn2 -","- C16 H6 O10 Zn2 -","- C128 H48 O80 Zn16 -","8","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0357","0.0301","","","0.0784","0.0809","","","","","","1.068","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219942","21.818","0.004","14.704","0.003","26.282","0.005","90","","126.84","0.03","90","","6748","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Co4 O29 S7 -","- C36 H24 Co4 O24 S2 -","- C144 H96 Co16 O96 S8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1223","0.1127","","","0.2865","0.2943","","","","","","1.041","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219959","21.494","0.004","8.3309","0.0014","18.367","0.003","90","","121.704","0.003","90","","2798.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cu4 I4 N8 -","- C19 H20 Cu4 I4 N8 -","- C76 H80 Cu16 I16 N32 -","4","0.5","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.048","0.0369","","","0.1006","0.1201","","","","","","1.162","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219960","18.283","0.005","8.628","0.002","21.554","0.005","90","","97.845","0.005","90","","3368.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu4 I4 N10 -","- C24 H28 Cu4 I4 N10 -","- C96 H112 Cu16 I16 N40 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0698","0.0526","","","0.1355","0.1462","","","","","","1.05","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219961","15.9272","0.0008","9.005","0.0004","22.3483","0.0011","90","","102.105","0.001","90","","3134","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Cu2 I2 N4 -","- C11 H12 Cu2 I2 N4 -","- C88 H96 Cu16 I16 N32 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0322","0.0276","","","0.0541","0.0555","","","","","","1.175","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219962","7.1708","0.0004","8.4435","0.0004","12.2732","0.0006","91.226","0.0011","101.4","0.0012","111.39","0.001","674.7","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl2 N4 Zn -","- C11 H14 Cl2 N4 Zn -","- C22 H28 Cl4 N8 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0186","0.0181","","","0.0442","0.0444","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219963","9.0863","0.0003","9.2004","0.0004","14.2638","0.0006","102.256","0.001","94.334","0.001","100.742","0.001","1136.56","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N8 Zn -","- C20 H22 Cl2 N8 Zn -","- C40 H44 Cl4 N16 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0329","0.0261","","","0.0659","0.069","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219964","15.987","0.0015","18.722","0.0018","19.304","0.0019","116.971","0.002","91.384","0.002","90.88","0.002","5145.7","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 Nd3 O61 S4 -","- C78 H92 N14 Nd3 O61 S4 -","- C156 H184 N28 Nd6 O122 S8 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0737","0.0471","","","0.1034","0.1143","","","","","","1.033","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219965","15.9282","0.0012","18.6918","0.0015","19.2219","0.0015","116.848","0.002","91.344","0.002","90.928","0.002","5102.3","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 O61 S4 Sm3 -","- C78 H93 N14 O61 S4 Sm3 -","- C156 H186 N28 O122 S8 Sm6 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0416","0.0373","","","0.1069","0.1099","","","","","","1.06","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219972","24.4797","0.0003","24.5938","0.0003","25.2374","0.0003","118.436","0.001","111.969","0.001","94.229","0.001","11784.9","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C297.58 H466 Cu24 N35.6 O172.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","1","0.5","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives","CrystEngComm","2015","17","17","3297","","10.1039/C5CE00251F","","","1.54184","CuKα","","0.0975","0.0859","","","0.2564","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219982","23.457","0.0013","11.7906","0.0006","8.1237","0.0005","90","","102.585","0.004","90","","2192.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.1049","0.0555","","","0.1305","0.1547","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219983","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219984","6.7821","0.0004","22.9709","0.0013","6.9552","0.0004","90","","91.464","0.004","90","","1083.2","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0541","0.0431","","","0.1044","0.1113","","","","","","1.053","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219985","3.7233","0.0003","7.4294","0.0005","12.3158","0.001","98.262","0.004","90.019","0.004","91.709","0.005","336.99","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form I","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","1","0.5","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.0373","0.0344","","","0.0953","0.0981","","","","","","1.112","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219986","6.9765","0.0007","8.1978","0.0008","13.1421","0.001","106.725","0.005","92.458","0.005","105.171","0.006","689.04","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form II","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C28 H16 D12 N8 O12 -","2","1","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.086","0.0462","","","0.1178","0.1423","","","","","","1.005","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219987","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219988","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219989","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219990","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219991","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219992","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219993","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219994","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219998","24.313","0.012","8.866","0.004","23.638","0.012","90","","103.544","0.006","90","","4954","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 Nd2 O21 -","- C40 H36 Ag N3 Nd2 O21 -","- C160 H144 Ag4 N12 Nd8 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.1136","0.0967","","","0.2915","0.1794","","","","","","1.098","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219999","23.964","0.002","8.7801","0.0007","23.82","0.002","90","","103.087","0.001","90","","4881.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Eu2 N3 O21 -","- C40 H36 Ag Eu2 N3 O21 -","- C160 H144 Ag4 Eu8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0636","0.0549","","","0.1649","0.1728","","","","","","1.063","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220000","23.4208","0.0018","8.7474","0.0007","24.1695","0.0019","90","","102.525","0.001","90","","4833.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Dy2 N3 O21 -","- C40 H36 Ag Dy2 N3 O21 -","- C160 H144 Ag4 Dy8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0648","0.0544","","","0.1713","0.1799","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220001","23.738","0.005","8.74","0.002","23.966","0.005","90","","102.618","0.003","90","","4852.1","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 O21 Tb2 -","- C40 H36 Ag N3 O21 Tb2 -","- C160 H144 Ag4 N12 O84 Tb8 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0698","0.0531","","","0.1625","0.1782","","","","","","1.009","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220002","8.8816","0.0009","10.0846","0.001","13.9316","0.0014","97.739","0.001","107.737","0.001","90.502","0.001","1176","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0482","0.044","","","0.116","0.1189","","","","","","1.064","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220003","8.8785","0.0009","10.0812","0.001","13.9267","0.0014","97.738","0.001","107.737","0.001","90.501","0.001","1174.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0509","0.0468","","","0.1284","0.1316","","","","","","1.041","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220005","19.576","0.006","18.535","0.006","7.8377","0.0016","90","","94.15","0.03","90","","2836.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 K0 N0 O25 Zn4 -","- C20 H4 O25 Zn4 -","- C80 H16 O100 Zn16 -","4","0.5","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0899","0.0654","","","0.2214","0.2389","","","","","","1.219","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220007","4.7895","0.0003","11.3446","0.001","12.061","0.0009","93.472","0.007","100.357","0.006","94.022","0.006","641.28","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.048","0.0414","","","0.1195","0.127","","","","","","1.064","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220009","11.011","0.003","11.867","0.004","18.154","0.006","71.519","0.005","79.676","0.005","87.614","0.005","2213.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 S10 Zn -","- C34 H24 N4 S10 Zn -","- C68 H48 N8 S20 Zn2 -","2","1","","Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.","Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange","CrystEngComm","2015","17","17","3219","","10.1039/C5CE00449G","","","0.71073","MoKα","","0.0847","0.0691","","","0.1876","0.1992","","","","","","1.112","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220010","16.7488","0.0009","12.8214","0.0009","30.458","0.002","90","","116.084","0.004","90","","5874.5","0.7","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C112 H98 Mn5 O44 -","- C108 H74 Mn5 O38 -","- C216 H148 Mn10 O76 -","2","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.1612","0.083","","","0.1674","0.1875","","","","","","1.085","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220011","11.461","0.0012","12.126","0.0014","13.13","0.002","99.683","0.004","106.979","0.003","99.307","0.005","1676.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1041","0.0628","","","0.144","0.1663","","","","","","1.015","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220012","11.429","0.0007","12.378","0.0008","12.766","0.0009","100.579","0.005","107.948","0.006","100.603","0.005","1632.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1298","0.0758","","","0.1406","0.1636","","","","","","1.145","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220013","11.4063","0.0009","12.4905","0.0007","12.9267","0.0009","101.825","0.005","108.484","0.006","99.617","0.005","1655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.0853","0.0535","","","0.1121","0.13","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220014","11.427","0.0009","12.165","0.001","13.217","0.001","100.658","0.007","107.125","0.007","98.125","0.006","1687.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0831","0.0577","","","0.1371","0.1596","","","","","","1.03","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220015","14.37","0.0012","28.431","0.002","17.883","0.002","90","","100.673","0.005","90","","7179.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Co2 N4 Na O19.5 -","- C79 H53 Co2 N4 Na O19.5 -","- C316 H212 Co8 N16 Na4 O78 -","4","1","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1142","0.0613","","","0.1348","0.1598","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220016","10.672","0.0007","12.394","0.0007","12.501","0.0007","75.378","0.005","73.453","0.005","87.968","0.005","1532.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1035","0.0607","","","0.1392","0.1673","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220017","32.986","0.0017","17.323","0.0015","28.382","0.0017","90","","148.758","0.014","90","","8411","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H71 Cu2 N8 O18.5 -","- C94 H70 Cu2 N8 O18.5 -","- C376 H280 Cu8 N32 O74 -","4","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.3418","0.1593","","","0.2424","0.2919","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220018","8.92","0.0005","15.524","0.0008","15.861","0.0008","90.076","0.004","95.216","0.004","90.973","0.004","2186.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0926","0.0591","","","0.1386","0.162","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220019","3.8788","0.0005","26.948","0.003","13.6006","0.0013","90","","93.164","0.009","90","","1419.4","0.3","270","0.1","270","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1023","0.0756","","","0.207","0.2322","","","","","","1.091","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220020","3.7998","0.0004","26.683","0.003","13.4964","0.0013","90","","92.665","0.009","90","","1366.9","0.2","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0532","0.0428","","","0.1125","0.1208","","","","","","1.131","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220021","3.8459","0.0005","26.658","0.003","14.03","0.04","90","","93.63","0.05","90","","1436","4","295","2","295","2","","","160000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0823","0.0601","","","0.1683","0.1895","","","","","","1.134","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220022","3.7825","0.0007","26.378","0.003","13.71","0.04","90","","93.76","0.06","90","","1365","4","295","2","295","2","","","640000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1279","0.1112","","","0.284","0.3072","","","","","","1.446","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220023","28.9324","0.0008","7.7007","0.0002","16.0837","0.0004","90","","107.629","0.002","90","","3415.16","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 O12 Zn2 -","- C28 H20 N6 O12 Zn2 -","- C112 H80 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.072","0.0596","","","0.211","0.2252","","","","","","1.122","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220024","28.825","0.012","7.737","0.002","16.014","0.006","90","","108.23","0.03","90","","3392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N6 O12 Zn2 -","- C30 H18 N6 O12 Zn2 -","- C120 H72 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.0726","0.0483","","","0.137","0.1544","","","","","","1.029","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220033","10.134","0.005","11.529","0.005","11.698","0.005","107.863","0.005","95.831","0.005","92.552","0.005","1290","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O10 Zn2 -","- C25 H27 N O10 Zn2 -","- C50 H54 N2 O20 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0675","0.0433","","","0.0944","0.1046","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220034","10.1815","0.0011","11.5501","0.0012","11.6759","0.0012","108.454","0.001","96.56","0.002","92.829","0.002","1288.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Co2 N O10 -","- C25 H27 Co2 N O10 -","- C50 H54 Co4 N2 O20 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0497","0.0406","","","0.1043","0.1105","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220035","10.706","0.0005","11.234","0.0005","11.467","0.0006","93.608","0.001","111.597","0.001","107.995","0.001","1195.02","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O9 Zn2 -","- C23 H23 N O9 Zn2 -","- C46 H46 N2 O18 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0377","0.0293","","","0.0725","0.0766","","","","","","1.056","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220036","16.635","0.005","9.405","0.005","25.855","0.005","90","","96.657","0.005","90","","4018","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Co2 N O12 -","- C39 H47 Co2 N O12 -","- C156 H188 Co8 N4 O48 -","4","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0884","0.0481","","","0.117","0.1485","","","","","","1.037","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220037","12.913","0.001","13.7018","0.001","14.1084","0.0011","114.394","0.001","107.217","0.001","98.206","0.001","2068.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cd N9 O14 -","- C41 H31 Cd N9 O14 -","- C82 H62 Cd2 N18 O28 -","2","1","","Roy, Subhadip; Bauza, Antonio; Frontera, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata","Experimental observation and theoretical investigation of a novel Cd(ii) complex with π-hole interactions involving nitro groups","CrystEngComm","2015","17","21","3912","","10.1039/C5CE00453E","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0858","","","","","","0.981","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220053","32.105","0.005","15.068","0.005","9.331","0.005","90","","90.772","0.005","90","","4514","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)","","- C48 H96 N28 Ni3 O10 W2 -","- C47.9996 H48 N28 Ni3 O10 W2 -","- C95.9992 H96 N56 Ni6 O20 W4 -","2","0.25","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara","Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies","CrystEngComm","2015","17","18","3526","","10.1039/C5CE00287G","","","0.71069","MoKα","","0.0354","0.0307","","","0.0866","0.0892","","","","","","1.102","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220059","6.7137","0.0007","13.1237","0.0014","11.9402","0.0012","90","","120.524","0.006","90","","906.24","0.17","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.06862","","1.09","","","","","","","has coordinates","291143","2024-04-09","08:49:27",""
"7220060","6.6535","0.0005","12.9636","0.001","11.851","0.0009","90","","120.203","0.004","90","","883.42","0.12","2.5","","2.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.03762","","1.14","","","","","","","has coordinates","291143","2024-04-09","08:49:46",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220092","30.3688","0.0018","26.6704","0.0015","21.7986","0.0012","90","","109.056","0.0016","90","","16688.2","1.7","277","","277","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C544 H576 Au16 Cl16 N32 O40 P16 -","8","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.1348","0.0542","","","0.1418","0.1788","","","","","","0.832","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220093","10.6798","0.0006","14.292","0.0007","22.3083","0.0013","97.4663","0.0016","90.7906","0.0016","91.1556","0.0014","3375","0.3","277","","277","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C138 H152 Au4 Cl4 N8 O12 P4 -","2","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.2","0.0827","","","0.1781","0.2321","","","","","","0.964","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220253","11.455","0.002","8.5195","0.0017","16.698","0.003","90","","103.81","0.03","90","","1582.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Co(tdzdc)(4,4?-bipy)(H2O)]n","","- C14 H10 Co N4 O5 S -","- C14 H10 Co N4 O5 S -","- C56 H40 Co4 N16 O20 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0418","0.0374","","","0.082","0.084","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220254","34.618","0.007","10.056","0.002","7.5334","0.0015","90","","100.66","0.03","90","","2577.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n","","- C18 H18 N6 O13 S2 Zn2 -","- C18 H8 N6 O13 S2 Zn2 -","- C72 H32 N24 O52 S8 Zn8 -","4","0.5","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.1021","0.0946","","","0.2215","0.225","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220256","14.55","0.003","10.115","0.002","7.4802","0.0015","90","","95.76","0.03","90","","1095.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(tdzdc)2(obpy)(H2O)2]n","","- C9 H6 N3 O6 S Zn -","- C9 H6 N3 O6 S Zn -","- C36 H24 N12 O24 S4 Zn4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0851","0.0722","","","0.1747","0.182","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220258","7.6957","0.0003","10.2182","0.0005","15.9408","0.0009","86.945","0.004","86.035","0.004","76.831","0.004","1216.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O21 Tb2 -","- C16 H20 N2 O21 Tb2 -","- C32 H40 N4 O42 Tb4 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0617","0.0664","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220259","7.7297","0.0004","10.2725","0.0005","16.0234","0.0009","86.817","0.004","85.974","0.005","77.107","0.004","1236.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Eu2 N2 O21 -","- C16 H20 Eu2 N2 O21 -","- C32 H40 Eu4 N4 O42 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0684","0.0454","","","0.0655","0.0734","","","","","","1.008","","","","has coordinates","138510","2020-10-21","18:00:00",""
"7220260","6.39","0.0003","9.8657","0.0006","12.5336","0.0009","92.036","0.003","97.215","0.004","94.435","0.004","780.72","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O7 U -","- C14 H20 O7 U -","- C28 H40 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0333","0.0268","","","0.0567","0.0582","","","","","","1.013","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220261","11.9941","0.0006","12.8275","0.0007","13.8161","0.0007","90","","106.114","0.003","90","","2042.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O7 U -","- C19 H27 N O7 U -","- C76 H108 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0504","0.0281","","","0.0528","0.0568","","","","","","0.95","","","","has coordinates,has disorder","138539","2020-10-21","18:00:00",""
"7220262","22.0938","0.0011","9.487","0.0003","17.2485","0.0009","90","","117.251","0.002","90","","3214.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19.5 N0.5 O6 U -","- C15 H19.5 N0.5 O6 U -","- C120 H156 N4 O48 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0303","0.024","","","0.055","0.0565","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220263","8.4491","0.0006","25.5329","0.0014","9.3969","0.0008","90","","94.063","0.005","90","","2022.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O7 U -","- C17 H25 N O7 U -","- C68 H100 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0944","0.0773","","","0.1842","0.1927","","","","","","1.189","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220264","16.5765","0.0004","13.5501","0.0004","24.0775","0.0008","90","","95.8","0.002","90","","5380.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 O19 U2 -","- C46 H76 N2 O19 U2 -","- C184 H304 N8 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0682","0.0384","","","0.0828","0.09","","","","","","0.984","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220265","10.9563","0.0008","12.8519","0.001","14.8421","0.0012","70.974","0.002","83.543","0.002","86.737","0.002","1962.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Eu2 N4 O13 -","- C42 H26 Eu2 N4 O13 -","- C84 H52 Eu4 N8 O26 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.087","0.0554","","","0.1074","0.1297","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220266","10.8919","0.0015","12.852","0.0017","14.933","0.002","70.463","0.003","82.65","0.002","85.85","0.003","1952.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Tb2 -","- C42 H26 N4 O13 Tb2 -","- C84 H52 N8 O26 Tb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.1191","0.057","","","0.077","0.0953","","","","","","0.822","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220267","10.7901","0.0009","12.8494","0.001","15.0261","0.0012","69.573","0.001","81.107","0.002","84.518","0.002","1926.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Yb2 -","- C42 H26 N4 O13 Yb2 -","- C84 H52 N8 O26 Yb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.0742","0.0478","","","0.0935","0.1074","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220268","10.239","0.0008","6.0429","0.0004","16.454","0.002","90","","95.999","0.008","90","","1012.49","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0566","0.0464","","","0.1213","0.1314","","","","","","0.984","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220270","11.0209","0.0001","16.093","0.0002","26.6261","0.0004","90","","90.074","0.001","90","","4722.38","0.1","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C208 H272 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.0594","0.0499","","","0.1361","0.1455","","","","","","1.023","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220271","11.3557","0.0013","13.324","0.002","16.537","0.003","108.171","0.008","94.406","0.008","92.266","0.007","2365","0.6","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C104 H136 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0898","0.0556","","","0.1303","0.1503","","","","","","1.027","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220272","8.9268","0.0003","14.4126","0.0007","20.6525","0.0011","85.264","0.002","85.152","0.002","73.771","0.003","2537.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","","- C54 H71 N O14 -","- C54 H71 N O14 -","- C108 H142 N2 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0809","0.0526","","","0.1215","0.1393","","","","","","1.018","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220273","17.9718","0.0004","19.3215","0.0003","15.5981","0.0002","90","","102.183","0.0017","90","","5294.33","0.16","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","","- C54 H74 Cl2 O15 -","- C54 H74 Cl2 O15 -","- C216 H296 Cl8 O60 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.1117","0.0932","","","0.2789","0.2996","","","","","","1.075","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220274","17.5687","0.0004","23.0884","0.0005","15.7904","0.0003","90","","108.034","0.002","90","","6090.4","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","","- C55 H71 Cl9 O14 -","- C55 H71 Cl9 O14 -","- C220 H284 Cl36 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.1329","0.086","","","0.2238","0.2632","","","","","","1.022","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220275","13.2706","0.0003","15.2318","0.0003","16.1051","0.0004","80.0591","0.0019","89.3602","0.0019","88.922","0.0018","3205.86","0.13","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C107 H142 Cs4 F24 O29 P4 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.047","0.0408","","","0.1086","0.1138","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220276","19.9517","0.0004","16.9799","0.0004","17.9735","0.0004","90","","105.634","0.002","90","","5863.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","","- C53.5 H72.5 Ag2 F12 O15.25 P2 -","- C52 H68 Ag2 F12 O14 P2 -","- C208 H272 Ag8 F48 O56 P8 -","4","0.5","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.0635","0.056","","","0.1684","0.177","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220278","15.805","0.0007","16.2661","0.0007","18.4549","0.0006","94.688","0.003","95.58","0.003","117.328","0.004","4151.9","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","","- C44.5 H56 Cl1.5 D0.5 O12 -","- C44.5 H56.5 Cl1.5 O12 -","- C178 H226 Cl6 O48 -","4","2","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.097","0.0744","","","0.2054","0.2335","","","","","","1.031","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220279","17.5554","0.0003","13.43772","0.00018","19.9408","0.0004","90","","114.831","0.002","90","","4269.23","0.14","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate","","- C46 H57 N O11 -","- C46 H57 N O11 -","- C184 H228 N4 O44 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1026","0.1104","","","","","","1.023","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220281","12.589","0.007","15.197","0.007","9.669","0.005","90","","115.502","0.008","90","","1669.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B2 H N3 O17 Pb6 -","- B2 N3 O16 Pb6 -","- B8 N12 O64 Pb24 -","4","0.5","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1116","0.1151","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220282","9.0637","0.0003","9.9713","0.0004","11.6123","0.0005","85.559","0.003","79.021","0.003","88.64","0.003","1027.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B2 H N3 O19 Pb8 -","- B2 N3 O19 Pb8 -","- B4 N6 O38 Pb16 -","2","1","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0268","0.0218","","","0.0342","0.0364","","","","","","0.924","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220283","8.8603","0.0007","15.0334","0.0012","15.751","0.0012","91.487","0.002","101.436","0.002","104.501","0.001","1984.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C110 H94 O4 -","- C110 H94 O4 -","- C110 H94 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.069","0.0513","","","0.1309","0.1447","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220284","16.743","0.006","11.222","0.004","20.629","0.007","90","","110.342","0.006","90","","3634","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C44 H59 O2 -","- C44 H59 O2 -","- C176 H236 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1378","0.078","","","0.1881","0.2159","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220285","16.7","0.005","11.277","0.004","20.825","0.007","90","","110.134","0.007","90","","3682","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H60 O2 -","- C45 H60 O2 -","- C180 H240 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1765","0.0883","","","0.2046","0.2447","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220286","17.096","0.004","11.004","0.002","21.653","0.005","90","","110.79","0.004","90","","3808.2","1.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H61 O2 -","- C45 H61 O2 -","- C180 H244 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1871","0.0986","","","0.2617","0.3125","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220287","8.126","0.002","8.979","0.003","14.064","0.004","71.815","0.007","75.414","0.007","66.78","0.007","886.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C48 H42 O4 -","- C48 H42 O4 -","- C48 H42 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.0664","0.0486","","","0.1252","0.1339","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220288","11.057","0.005","12.6","0.005","13.982","0.005","82.66","0.005","84.841","0.005","82.541","0.005","1910.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Cd2 N4 O8.5 -","- C44 H28 Cd2 N4 O8.5 -","- C88 H56 Cd4 N8 O17 -","2","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0538","0.0357","","","0.0845","0.093","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220289","11.561","0.005","14.705","0.005","11.867","0.005","90","","95.169","0.005","90","","2009.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd N2 O4.5 -","- C24 H14 Cd N2 O4.5 -","- C96 H56 Cd4 N8 O18 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0447","0.0294","","","0.066","0.0717","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220290","15.0315","0.0014","10.8209","0.001","20.331","0.0019","90","","106.002","0.002","90","","3178.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cu2 N6 O9 -","- C31 H22 Cu2 N6 O8 -","- C124 H88 Cu8 N24 O32 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.0923","0.0474","","","0.0834","0.0925","","","","","","1.023","","","","has coordinates","143406","2020-10-21","18:00:00",""
"7220291","15.481","0.005","15.415","0.005","15.994","0.005","90","","118.221","0.005","90","","3363.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Co3 N8 O18 -","- C72 H66 Co3 N8 O18 -","- C144 H132 Co6 N16 O36 -","2","0.5","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.063","0.0439","","","0.1071","0.1172","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220292","9.7473","0.0019","15.238","0.003","30.16","0.006","90","","93.463","0.003","90","","4471.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cd2 N10 O11 -","- C48 H34.5 Cd2 N10 O11 -","- C192 H138 Cd8 N40 O44 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.1349","0.0821","","","0.2085","0.2446","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220298","9.687","0.002","17.32","0.005","12.544","0.003","90","","108.034","0.007","90","","2001.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Pd S7 -","- C13 H18 N2 Pd S7 -","- C52 H72 N8 Pd4 S28 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0475","0.0289","","","0.0633","0.0673","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220300","18.7965","0.001","13.9047","0.0008","12.8843","0.0006","90","","96.01","0.004","90","","3348.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C120 H164 I8 N12 O24 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1164","0.0553","","","0.0715","0.1651","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220302","8.1929","0.0002","11.3278","0.0003","13.1285","0.0003","90","","105.735","0.003","90","","1172.76","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-trimethylammonium-benzoic acid iodide","3-trimethylammonium-benzoic acid iodide","","- C10 H14 I N O2 -","- C10 H14 I N O2 -","- C40 H56 I4 N4 O8 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.0765","0.0675","","","0.1846","0.1988","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220303","7.7212","0.0008","11.4938","0.0012","11.997","0.0012","90","","115.507","0.001","90","","960.91","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Mo2.66 O12 W0.34 -","- Bi2 Mo2.656 O12 W0.344 -","- Bi8 Mo10.624 O48 W1.376 -","4","1","","Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang","Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal","CrystEngComm","2015","17","24","4525","","10.1039/C5CE00639B","","","0.71069","MoKα","","0.0353","0.0249","","","0.0449","0.0479","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220305","3.9185","0.0003","10.5324","0.001","25.539","0.002","90","","90.642","0.003","90","","1053.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0931","0.0515","","","0.1373","0.163","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220306","3.8161","0.0002","10.6532","0.0005","25.8317","0.0012","90","","90.724","0.003","90","","1050.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C52 H40 F4 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1022","0.0553","","","0.1472","0.1941","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220309","7.8462","0.0005","11.2089","0.0009","16.8641","0.0012","90","","92.389","0.005","90","","1481.86","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-(naphthalen-2-yl)-7-(trifluorometh","","","- C18 H12 F3 N3 -","- C18 H12 F3 N3 -","- C72 H48 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.191","0.0535","","","0.1099","0.1521","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220310","10.3016","0.0007","16.0564","0.0011","6.8555","0.0006","90","","93.098","0.005","90","","1132.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2,5-dimethyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C36 H32 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1291","0.0754","","","0.1958","0.2157","","","","","","0.878","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220311","11.2451","0.0008","5.8697","0.0004","20.9201","0.0016","90","","104.896","0.005","90","","1334.43","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-tricholoromethyl-5-propylpyrazolo[1,5-a]pyrimidine","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C44 H48 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0576","0.0361","","","0.1069","0.1361","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220314","4.8715","0.0002","11.2655","0.0005","13.5584","0.0006","110.225","0.003","96.808","0.003","99.835","0.003","675.13","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[1,5-a]pyrimidine","2-methyl-5-p-tolyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C15 H12 F3 N3 -","- C15 H12 F3 N3 -","- C30 H24 F6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0959","0.0595","","","0.1859","0.2282","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","138536","2020-10-21","18:00:00",""
"7220317","16.424","0.018","32.97","0.04","7.432","0.01","90","","92.02","0.03","90","","4022","9","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14.98 N2 O4 Zn -","- C26 H14.982 N2 O4 Zn -","- C104 H59.928 N8 O16 Zn4 -","4","0.5","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","1.54187","CuKα","","0.0731","0.0689","","","0.2051","0.2151","","","","","","1.076","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220318","8.5983","0.0006","10.15","0.0007","16.0657","0.001","75.657","0.002","88.717","0.002","67.973","0.002","1255.35","0.15","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O4 -","- C26 H16 Cu N2 O4 -","- C52 H32 Cu2 N4 O8 -","2","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.0752","0.0559","","","0.1713","0.182","","","","","","1.06","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220320","16.5081","0.0007","23.4259","0.0008","10.2617","0.0003","90","","92.433","0.003","90","","3964.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O6 W -","- C16 H26 N4 O6 W -","- C128 H208 N32 O48 W8 -","8","2","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","1.54178","CuKα","","0.1131","0.084","","","0.1897","0.2009","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220321","7.1077","0.0006","30.734","0.003","9.8061","0.0008","90","","102.769","0.002","90","","2089.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","0.71073","MoKα","","0.082","0.0577","","","0.1067","0.1171","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220323","10.9252","0.0009","9.3337","0.0006","14.2595","0.0003","90","","98.0093","0.001","90","","1439.89","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn(Im)(HIm)2(OAc)","","- C11 H14 N6 O2 Zn -","- C11 H14 N6 O2 Zn -","- C44 H56 N24 O8 Zn4 -","4","1","","Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang","A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks","CrystEngComm","2015","17","21","3998","","10.1039/C5CE00211G","","","0.71073","MoKα","","0.1112","0.0656","","","0.1627","0.1726","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220324","9.3789","0.0003","10.9247","0.0004","18.8993","0.0006","104.858","0.003","94.314","0.002","107.714","0.003","1758.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 O14 Zn2.5 -","- C24 H10 O14 Zn2.5 -","- C48 H20 O28 Zn5 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54178","CuKα","","0.0508","0.0465","","","0.1505","0.1558","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220325","11.0076","0.0004","21.4138","0.0008","13.7391","0.0006","90","","108.52","0.005","90","","3070.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N0 O13 Zn -","- C24 H13 O13 Zn -","- C96 H52 O52 Zn4 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0624","0.0457","","","0.0989","0.1056","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220326","18.3439","0.0003","8.809","0.0001","23.4388","0.0004","90","","101.965","0.002","90","","3705.22","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O8.5 Zn -","- C17 H20 N2 O8.5 Zn -","- C136 H160 N16 O68 Zn8 -","8","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0568","0.0548","","","0.1477","0.1492","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220327","12.024","0.003","13.773","0.004","15.85","0.004","90","","99.093","0.005","90","","2591.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 Zn2 -","- C16 H11 N O10 Zn2 -","- C64 H44 N4 O40 Zn8 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","0.71073","MoKα","","0.0523","0.0439","","","0.1314","0.1359","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220328","17.0549","0.0003","15.3986","0.0003","23.0104","0.0005","90","","102.754","0.002","90","","5893.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N2 O18 Zn4 -","- C38 H41 N4 O18 Zn4 -","- C152 H164 N16 O72 Zn16 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0933","0.0824","","","0.25","0.2626","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7220330","6.9599","0.0005","25.9822","0.0013","8.01","0.0005","90","","105.224","0.007","90","","1397.64","0.16","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theophylline-salicylic acid cocrystal","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Zhang, Shuo; Chen, Hong; Rasmuson, Åke. C.","Thermodynamics and crystallization of a theophylline‒salicylic acid cocrystal","CrystEngComm","2015","17","22","4125","","10.1039/C5CE00240K","","","1.54178","CuKα","","0.0886","0.0718","","","0.1994","0.2085","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220335","7.0081","0.0014","11.651","0.004","12.321","0.003","88.883","0.014","78.274","0.015","87.09","0.02","983.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0751","0.0729","","","0.1709","0.1776","","","","","","1.095","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220336","7.054","0.0002","11.7587","0.0006","12.42","0.0006","90","","102.097","0.003","90","","1007.31","0.08","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.0388","","","0.1068","0.1101","","","","","","1.075","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220337","7.065","0.005","11.601","0.005","12.596","0.005","87.073","0.005","78.284","0.005","83.751","0.005","1004.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0385","","","0.1015","0.1043","","","","","","1.156","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220338","7.1138","0.0005","11.8204","0.0008","12.7513","0.0008","88.872","0.005","77.488","0.005","87.918","0.005","1046","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1801","0.1403","","","0.3974","0.4351","","","","","","1.584","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220339","10.0292","0.0001","12.6468","0.0001","16.6405","0.0002","76.624","0.001","79.849","0.001","88.912","0.001","2020.72","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0326","","","0.0794","0.085","","","","","","1.017","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220340","10.078","0.0002","12.7955","0.0004","16.6985","0.0005","76.079","0.001","80.178","0.002","89.127","0.002","2058.69","0.1","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0927","0.0439","","","0.0888","0.1041","","","","","","1.006","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220341","7.2421","0.0002","11.5317","0.0004","12.6415","0.0003","84.884","0.002","77.206","0.002","83.702","0.002","1021.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.039","","","0.1083","0.1113","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220342","7.275","0.002","11.692","0.004","12.76","0.004","85.868","0.002","76.764","0.002","85.302","0.002","1051.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.043","0.0349","","","0.0885","0.0938","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220343","7.6106","0.0001","11.3658","0.0002","23.8383","0.0005","90","","93.826","0.001","90","","2057.43","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0558","0.0421","","","0.0835","0.0876","","","","","","1.158","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220344","7.6865","0.0002","11.5038","0.0004","24.0051","0.0007","90","","85.856","0.002","90","","2117.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0764","0.0585","","","0.1557","0.1666","","","","","","1.076","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220345","7.668","0.0002","11.4447","0.0002","24.1613","0.0005","90","","93.46","0.001","90","","2116.48","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0524","0.0359","","","0.0801","0.0862","","","","","","1.043","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220346","7.7266","0.0003","11.5898","0.0005","24.3459","0.0009","90","","93.458","0.002","90","","2176.2","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1165","0.046","","","0.0955","0.1191","","","","","","0.959","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220347","7.6664","0.0001","11.6061","0.0002","23.8228","0.0004","90","","96.237","0.001","90","","2107.14","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0489","0.0355","","","0.0902","0.0971","","","","","","1.06","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220348","7.753","0.0003","11.7757","0.0005","24.0225","0.001","90","","96.556","0.002","90","","2178.84","0.15","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0549","0.0482","","","0.1334","0.1401","","","","","","1.066","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220349","15.4575","0.0002","11.6172","0.0002","24.5781","0.0002","90","","102.438","0.001","90","","4309.97","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H102 Fe4 N28 O Se8 -","- C144 H204 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0729","0.0442","","","0.1053","0.1175","","","","","","1.007","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220350","15.5939","0.0003","11.7657","0.0002","24.7536","0.0005","90","","102.373","0.001","90","","4436.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H103 Fe4 N28 O Se8 -","- C144 H206 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0943","0.0477","","","0.1176","0.1367","","","","","","1.027","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220351","12.8229","0.0004","14.7384","0.0005","25.0376","0.0008","90","","91.34","0.0001","90","","4730.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cu3 Mo24 N32 O84 P2 -","- C16 H36 Cu3 Mo24 N32 O84 P2 -","- C32 H72 Cu6 Mo48 N64 O168 P4 -","2","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0319","0.0289","","","0.1147","0.119","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220353","13.4466","0.0011","13.4785","0.0011","13.8805","0.0012","64.45","0.0001","61.819","0.0001","78.75","0.002","2000.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 Cr Cu2 Mo6 N16 O28 -","- C8 H22 Cr Cu2 Mo6 N16 O28 -","- C16 H44 Cr2 Cu4 Mo12 N32 O56 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0929","0.0532","","","0.143","0.1641","","","","","","1.023","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220354","10.0148","0.0007","19.0431","0.0014","21.532","0.0015","90","","102.757","0.001","90","","4005.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H32 Cu3 Mo8 N12 O37 -","- C6 H24 Cu3 Mo8 N12 O37 -","- C24 H96 Cu12 Mo32 N48 O148 -","4","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0426","0.037","","","0.1024","0.1054","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220355","8.7273","0.0009","12.8497","0.0009","12.8591","0.001","86.154","0.001","75.879","0.001","75.844","0.001","1356","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cu3 N12 O18 V5 -","- C6 H14 Cu3 N12 O18 V5 -","- C12 H28 Cu6 N24 O36 V10 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0488","0.0354","","","0.0901","0.1014","","","","","","1.062","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220356","14.7921","0.0002","15.0566","0.0002","21.4174","0.0003","90","","99.831","0.001","90","","4700.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H37 Mg3 N2 O16 -","- C51 H37 Mg3 N2 O16 -","- C204 H148 Mg12 N8 O64 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Du, Cheng-Feng; Feng, Mei-Ling; Xie, Zai-Lai; Huang, Xiao-Ying","An ionothermally synthesized Mg-based coordination polymer as a precursor for preparing porous carbons","CrystEngComm","2015","17","23","4288","","10.1039/C5CE00591D","","","0.71073","MoKα","","0.0988","0.086","","","0.2218","0.2274","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220357","4.8536","0.0011","7.8906","0.0017","8.8251","0.0019","78.1348","0.0027","86.3966","0.0028","75.122","0.0028","319.65","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","1","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0282","0.0279","","","0.0668","0.067","","","","","","1.091","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220358","11.6947","0.0009","17.3278","0.0014","9.1324","0.0007","90","","98.167","0.001","90","","1831.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0476","0.0418","","","0.1204","0.1242","","","","","","1.132","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220359","11.7013","0.0018","17.518","0.003","9.1703","0.0014","90","","98.006","0.002","90","","1861.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.031","0.025","","","0.0608","0.0657","","","","","","1.033","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220360","9.358","0.004","10.882","0.005","10.968","0.004","116.299","0.006","96.468","0.006","91.599","0.006","991.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2c","","","- C13 H16 Ag F6 N2 O5 P Pd -","- C13 H16 Ag F6 N2 O5 P Pd -","- C26 H32 Ag2 F12 N4 O10 P2 Pd2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0654","0.0592","","","0.1688","0.1765","","","","","","1.091","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220361","9.9183","0.0013","10.7825","0.0014","11.6604","0.0015","65.896","0.002","71.7491","0.0019","88.957","0.002","1072.3","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6","","","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C28 H28 Ag2 Cl4 F6 N4 O14 Pd2 S2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0648","0.0374","","","0.072","0.0838","","","","","","0.992","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7220362","4.6283","0.0008","25.815","0.004","7.8121","0.0013","90","","105.265","0.002","90","","900.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C12 H12 Ag2 N4 O10 Pd -","- C12 H12 Ag2 N4 O10 Pd -","- C24 H24 Ag4 N8 O20 Pd2 -","2","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0197","0.018","","","0.0432","0.044","","","","","","1.071","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220363","11.964","0.0016","17.688","0.002","9.108","0.0011","90","","96.437","0.003","90","","1915.3","0.4","320","2","320","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0368","0.0322","","","0.1187","0.1291","","","","","","1","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220364","11.915","0.0017","17.722","0.003","9.1692","0.0013","90","","96.44","0.002","90","","1923.9","0.5","320","2","320","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0387","0.0359","","","0.1123","0.1194","","","","","","0.986","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220365","11.684","0.0011","17.2956","0.0016","9.1223","0.0009","90","","98.158","0.002","90","","1824.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C52 H64 Ag4 B2 Cl2 F8 N8 O28 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0519","0.0412","","","0.0992","0.1063","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220366","25.245","0.003","9.6639","0.001","20.026","0.002","90","","128.93","0.001","90","","3800.6","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 Nd2 O32 S Zn4 -","- C20 H4 N8 Nd2 O32 S Zn4 -","- C80 H16 N32 Nd8 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0326","0.0287","","","0.0768","0.0791","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220367","25.1944","0.0017","9.6262","0.0006","19.9847","0.0012","90","","128.905","0.001","90","","3771.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 O32 S Sm2 Zn4 -","- C20 H4 N8 O32 S Sm2 Zn4 -","- C80 H16 N32 O128 S4 Sm8 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.03","0.0265","","","0.0677","0.0693","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220368","25.1496","0.0013","9.6309","0.0005","20.0039","0.0011","90","","128.937","0.001","90","","3768.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Eu2 N8 O32 S Zn4 -","- C20 H4 Eu2 N8 O32 S Zn4 -","- C80 H16 Eu8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0249","0.0222","","","0.0585","0.0596","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220369","25.1442","0.0019","9.6068","0.0007","19.9794","0.0014","90","","128.933","0.002","90","","3754.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Gd2 N8 O32 S Zn4 -","- C20 H4 Gd2 N8 O32 S Zn4 -","- C80 H16 Gd8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0263","0.0235","","","0.0619","0.0632","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220376","16.527","0.011","20.962","0.014","16.969","0.012","90","","106.983","0.01","90","","5622","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C171 H186 Cl14 Cu4 N64 O30 -","4","1","","Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin","Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework","CrystEngComm","2015","17","22","4102","","10.1039/C5CE00547G","","","0.71073","MoKα","","0.1348","0.0932","","","0.2646","0.302","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220378","22.121","0.002","17.3201","0.0005","16.1353","0.0015","90","","135.236","0.018","90","","4353.3","1.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C84 H80 Mn5 N20 O17 -","- C84 H80 Mn5 N20 O17 -","- C168 H160 Mn10 N40 O34 -","2","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0822","0.066","","","0.1791","0.1894","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7220382","9.9533","0.0006","14.2851","0.0006","15.24","0.001","93.498","0.004","90.926","0.005","103.226","0.004","2104.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 N2 P2 S2 -","- C46 H38 Ag2 N2 P2 S2 -","- C92 H76 Ag4 N4 P4 S4 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0991","0.0796","","","0.2154","0.2533","","","","","","1.01","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220383","14.6363","0.0006","16.8676","0.0005","19.0727","0.001","97.323","0.003","112.344","0.004","94.429","0.003","4278.9","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H79 Ag3 N3 O2 P4 Se3 -","- C88 H78 Ag3 N3 O2 P4 Se3 -","- C176 H156 Ag6 N6 O4 P8 Se6 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0995","0.0691","","","0.1868","0.2144","","","","","","0.99","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220384","12.2175","0.001","13.7065","0.001","17.1985","0.0015","87.407","0.007","86.817","0.007","69.329","0.007","2689.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H57 Ag N O2 P3 Se -","- C61 H57 Ag N O2 P3 Se -","- C122 H114 Ag2 N2 O4 P6 Se2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1307","0.0802","","","0.2005","0.239","","","","","","1.003","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220385","11.4611","0.0006","12.624","0.0007","19.6133","0.0013","85.935","0.005","74.285","0.005","71.483","0.005","2589.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Ag N O P3 S -","- C60 H53 Ag N O P3 S -","- C120 H106 Ag2 N2 O2 P6 S2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1047","0.0844","","","0.2321","0.2586","","","","","","1.077","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220387","11.804","0.002","5.7178","0.0011","10.984","0.002","90","","115.84","0.03","90","","667.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H7 Cu N9 -","- C H7 Cu N9 -","- C4 H28 Cu4 N36 -","4","0.5","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0336","0.0318","","","0.0893","0.0901","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220388","13.3217","0.0002","11.7975","0.0002","23.3963","0.0005","90","","123.48","0.002","90","","3066.93","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H Cd2 N4 O9 -","- C20 H18 Cd2 N8 O13 -","- C80 H72 Cd8 N32 O52 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0423","0.0382","","","0.0838","0.0862","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220389","21.032","0.002","7.9734","0.0008","12.5404","0.0013","90","","110.192","0.001","90","","1973.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Cd N O7 -","- C6 H8 Cd N2 O7 -","- C48 H64 Cd8 N16 O56 -","8","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0223","0.0209","","","0.0534","0.0543","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220390","15.5653","0.0018","15.3856","0.0018","14.8364","0.0017","90","","109.725","0.001","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cd2 N7 O15 -","- C27 H29 Cd2 N7 O15 -","- C108 H116 Cd8 N28 O60 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0846","0.0664","","","0.1844","0.203","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220391","10.7212","0.0001","7.7259","0.0001","8.678","0.0001","90","","110.037","0.001","90","","675.298","0.014","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cd N O4 -","- C7 H3 Cd N O4 -","- C28 H12 Cd4 N4 O16 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0255","0.0235","","","0.0596","0.061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220392","9.1774","0.0008","16.6983","0.0015","14.3375","0.0011","90","","105.865","0.004","90","","2113.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine:acetone (1:1)","felodipine:acetone (1:1)","","- C21 H25 Cl2 N O5 -","- C21 H25 Cl2 N O5 -","- C84 H100 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0857","0.0929","","","","","","1.035","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220394","8.66","0.003","9.816","0.003","13.782","0.004","87.37","0.02","79.17","0.03","77.79","0.03","1124.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","felodipine:dimethylsulfoxide (1:1)","","","- C20 H25 Cl2 N O5 S -","- C20 H25 Cl2 N O5 S -","- C40 H50 Cl4 N2 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.1603","0.0841","","","0.1971","0.242","","","","","","1.044","","","","has coordinates,has disorder","138522","2020-10-21","18:00:00",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220397","21.412","0.005","7.5902","0.0015","18.474","0.004","90","","105.45","0.004","90","","2893.9","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O5 P -","- C12 H21 O5 P -","- C96 H168 O40 P8 -","8","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0329","0.0322","","","0.087","0.0876","","","","","","1.056","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220398","17.986","0.003","7.8722","0.0011","28.879","0.004","90","","92.107","0.003","90","","4086.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 O5 P -","- C11 H19 O5 P -","- C132 H228 O60 P12 -","12","3","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0632","0.0603","","","0.1618","0.1645","","","","","","1.06","","","","has coordinates,has disorder","138553","2020-10-21","18:00:00",""
"7220399","12.989","0.005","9.027","0.004","14.006","0.005","90","","111.738","0.005","90","","1525.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O4 P -","- C13 H24 N O4 P -","- C52 H96 N4 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0465","0.042","","","0.09","0.0928","","","","","","1.103","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220400","16.269","0.004","24.011","0.006","18.92","0.005","90","","112.875","0.004","90","","6810","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N2 O10 P2 -","- C32 H44 Cu N2 O10 P2 -","- C256 H352 Cu8 N16 O80 P16 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0872","0.0755","","","0.1572","0.1646","","","","","","1.161","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220401","16.398","0.006","23.992","0.008","18.942","0.007","90","","112.576","0.005","90","","6881","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O10 P2 Zn -","- C32 H44 N2 O10 P2 Zn -","- C256 H352 N16 O80 P16 Zn8 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.1115","0.1009","","","0.271","0.2885","","","","","","1.188","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","138554","2020-10-21","18:00:00",""
"7220408","10.078","0.002","42.812","0.009","7.2997","0.0016","90","","90","","90","","3149.5","1.1","100","2","100","2","","","","","","","","8","C 2 2 2","C 2 2","21","8","","","- C36 H68 Ag Cr2 F18 N8 O16 P3 -","- C36 H52 Ag Cr2 F18 N8 O16.024 P3 -","- C72 H104 Ag2 Cr4 F36 N16 O32.048 P6 -","2","0.25","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0743","0.0622","","","0.1747","0.188","","","","","","1.087","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220431","7.967","0.0016","27.574","0.006","19.131","0.004","90","","90.23","0.03","90","","4202.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4 in the relevant manuscript","skd175","","- C27 H33 Cl Fe3 N3 O17 -","- C27 H33 Cl Fe3 N3 O17 -","- C108 H132 Cl4 Fe12 N12 O68 -","4","1","","Sabbani, Supriya; Das, Samar K.","Reversible solid to solid transformation in a crystalline state gas‒solid reaction under ambient conditions: Fe‒N(pyridine) bond formation at the expense of Fe‒OH2bond breaking and vice versa","CrystEngComm","2015","17","46","8850","","10.1039/C5CE00488H","","","0.71073","MoKα","","0.2802","0.2369","","","0.5238","0.5415","","","","","","1.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220432","8.6812","0.0009","4.9972","0.0006","17.5379","0.0018","90","","97.339","0.006","90","","754.59","0.14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,13-Dichloropentacene","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Hatcher, Peggy V.; Reibenspies, Joseph H.; Haddon, Robert C.; Li, Dawen; Lopez, Nereo; Chi, Xiaoliu","A polymorph of the 6,13-dichloropentacene organic semiconductor: crystal structure, semiconductor measurements and band structure calculations","CrystEngComm","2015","17","22","4172","","10.1039/C5CE00300H","","","1.54178","CuKα","","0.0631","0.061","","","0.1502","0.1525","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220438","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H48 O5 S4 -","- C84 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0962","0.0864","","","0.2301","0.2557","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220439","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H48 O5 S4 -","- C82 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1001","0.0955","","","0.2366","0.2559","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220440","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43 H44 O5 S4 -","- C86 H88 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1063","0.098","","","0.242","0.263","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220441","23.3664","0.0003","23.3664","0.0003","23.3664","0.0003","90","","90","","90","","12757.8","0.3","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 O14 P2 Zn3 -","- C78 H48 O14 P2 Zn3 -","- C624 H384 O112 P16 Zn24 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0867","0.0703","","","0.2264","0.2576","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220442","23.7697","0.0004","23.7697","0.0004","23.7697","0.0004","90","","90","","90","","13429.8","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Cd3 O14 P2 -","- C78 H48 Cd3 O14 P2 -","- C624 H384 Cd24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1314","0.0967","","","0.2967","0.338","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220443","23.3991","0.0004","23.3991","0.0004","23.3991","0.0004","90","","90","","90","","12811.4","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Co3 O14 P2 -","- C78 H48 Co3 O14 P2 -","- C624 H384 Co24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1747","0.0892","","","0.27","0.325","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220444","23.5428","0.0002","23.5428","0.0002","23.5428","0.0002","90","","90","","90","","13048.9","0.19","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C39 H24 In O7 P -","- C39 H24 In O7 P -","- C624 H384 In16 O112 P16 -","16","0.333333","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0668","0.0578","","","0.1555","0.1702","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220448","10.264","0.001","10.674","0.001","17.308","0.001","92.084","0.001","103.251","0.001","103.06","0.001","1790.2","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-cobalt(ii)-di-tungsten(v))","","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0246","0.0229","","","0.0569","0.0581","","","","","","1.089","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220449","10.067","0.001","10.714","0.001","17.449","0.0003","93.286","0.001","104.191","0.001","102.986","0.001","1765.3","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-tungsten(v))","","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0358","0.0292","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220450","10.056","0.0003","10.697","0.0003","17.41","0.0005","93.364","0.002","104.168","0.002","102.945","0.002","1756.85","0.09","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))","","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","","0.71073","MoKα","","0.0432","0.032","","","0.0746","0.0801","","","","27.107","27.107","1.046","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220474","28.406","0.002","15.1613","0.0011","19.2086","0.0016","90","","99.473","0.009","90","","8159.8","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Br8 Fe2 N8 O -","- C88 H48 Br8 Fe2 N8 O -","- C352 H192 Br32 Fe8 N32 O4 -","4","0.5","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","0.71073","MoKα","","0.1736","0.0808","","","0.1855","0.2229","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220475","14.2862","0.0011","15.307","0.003","19.102","0.003","90","","94.637","0.008","90","","4163.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H29.5 Br4 Cl Fe N4.75 O0.75 -","- C44 H24 Br4 Cl Fe N4 -","- C176 H96 Br16 Cl4 Fe4 N16 -","4","1","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","1.54178","CuKα","","0.024","0.0221","","","0.0541","0.0556","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220483","7.7237","0.0005","10.2576","0.0006","13.6801","0.0008","78.32","0.002","84.144","0.002","76.52","0.002","1030.43","0.11","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O4 S -","- C20 H22 I N O4 S -","- C40 H44 I2 N2 O8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0729","0.0637","","","0.1517","0.1615","","","","","","0.9894","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220484","7.4692","0.0004","15.9898","0.0009","18.4114","0.0011","110.533","0.002","91.966","0.002","94.712","0.002","2047.5","0.2","","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.5 S -","- C20 H22 I N O3.5 S -","- C80 H88 I4 N4 O14 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0612","0.0582","","","0.1366","0.1421","","","","","","1.0103","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220485","7.484","0.005","10.197","0.007","14.512","0.01","94.449","0.01","103.752","0.011","105.623","0.01","1024","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.4 S -","- C20 H22 I N O3.4 S -","- C40 H44 I2 N2 O6.8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0407","0.0319","","","0.074","0.0783","","","","","","1.0314","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220486","7.808","0.004","10.354","0.006","13.78","0.007","93.69","0.02","103.61","0.02","105.59","0.02","1033.2","1","","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 I2 N O7 S2 -","- C40 H44 I2 N2 O7 S2 -","- C40 H44 I2 N2 O7 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","1.54178","CuKα","","0.1565","0.0871","","","0.1902","0.228","","","","","","1.1164","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220487","7.564","0.004","10.338","0.005","14.496","0.007","93.619","0.005","104.077","0.005","105.686","0.005","1048.4","0.9","","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 I N O3.5 S -","- C20 H16 I N O3.5 S -","- C40 H32 I2 N2 O7 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0797","0.0696","","","0.1629","0.1682","","","","","","1.0319","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220504","8.7922","0.0006","14.9186","0.0008","13.4193","0.001","90","","120.13","0.005","90","","1522.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cu N2 O5 -","- C15 H11 Cu N2 O5 -","- C60 H44 Cu4 N8 O20 -","4","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0411","0.0372","","","0.0897","0.0922","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220505","26.424","0.014","9.529","0.004","19.889","0.011","90","","124.468","0.008","90","","4129","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cu2 N2 O8.5 -","- C20.5 H15.5 Cu2 N2 O8.5 -","- C164 H124 Cu16 N16 O68 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0421","0.035","","","0.0876","0.0922","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220507","23.182","0.011","12.61","0.005","17.333","0.008","90","","130.001","0.007","90","","3881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu2 N4 O12 -","- C34 H34 Cu2 N4 O12 -","- C136 H136 Cu8 N16 O48 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0335","0.0304","","","0.0812","0.0826","","","","","","1.058","","","","has coordinates","143369","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220509","7.751","0.002","12.916","0.003","14.603","0.004","83.875","0.006","88.192","0.007","74.126","0.006","1398.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N4 O7.5 -","- C25 H24 Cu N4 O7.5 -","- C50 H48 Cu2 N8 O15 -","2","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0876","0.0596","","","0.1708","0.192","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00",""
"7220511","12.499","0.003","15.4","0.004","17.164","0.004","79.589","0.003","74.873","0.003","81.892","0.003","3121.4","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methyl-pryogallol[4]arene with rhodamine B","","","- C65 H82 N2 O20 -","- C65 H82 N2 O20 -","- C130 H164 N4 O40 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0938","0.0519","","","0.1128","0.1326","","","","","","1.026","","","","has coordinates","143408","2020-10-21","18:00:00",""
"7220512","12.6309","0.0014","15.1204","0.0017","16.9812","0.0019","80.807","0.001","75.354","0.001","79.911","0.001","3066.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with rhodamine B","","","- C66 H80 N2 O18 -","- C66 H80 N2 O18 -","- C132 H160 N4 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0814","0.0583","","","0.1574","0.1774","","","","","","1.037","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220513","12.4659","0.0007","15.6276","0.0008","17.6068","0.0009","69.247","0.002","75.581","0.003","78.539","0.003","3083.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with rhodamine B","","","- C68 H86 N2 O19 -","- C68 H82 N2 O19 -","- C136 H164 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.0665","0.0581","","","0.1597","0.1697","","","","","","1.031","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220514","33.748","0.004","12.5218","0.0013","31.831","0.003","90","","102.816","0.001","90","","13116","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C71 H90.25 N2 O18.5 -","- C71 H86.25 N2 O18.5 -","- C568 H690 N16 O148 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0805","0.0578","","","0.1577","0.1742","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220515","12.407","0.003","15.969","0.003","18.498","0.004","79.532","0.003","71.722","0.003","80.076","0.003","3395.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene","","","- C72 H94 N2 O19 -","- C72 H94 N2 O19 -","- C144 H188 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1579","0.0834","","","0.2403","0.3073","","","","","","1.046","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220516","33.339","0.011","12.549","0.004","31.947","0.011","90","","105.02","0.005","90","","12909","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C69 H84.5 N2.5 O17.5 -","- C69 H79.5 N2.5 O17.5 -","- C552 H636 N20 O140 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.127","0.0839","","","0.2358","0.2875","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220518","14.103","0.002","14.457","0.002","15.357","0.003","63.031","0.002","69.038","0.002","84.764","0.002","2596.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with pyronin Y","","","- C55 H65 Cl2 N2 O14 -","- C55 H65 Cl2 N2 O14 -","- C110 H130 Cl4 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1358","0.0921","","","0.2178","0.2498","","","","","","1.036","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220519","14.3619","0.0004","24.7111","0.0006","15.9255","0.0004","90","","109.14","0.003","90","","5339.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H42.75 N2.25 O11 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.0761","0.0468","","","0.1034","0.1142","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220520","14.1639","0.0005","25.2402","0.0007","15.9077","0.0007","90","","111.043","0.004","90","","5307.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H40.75 N2.25 O10 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1176","0.0769","","","0.1806","0.2013","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220522","14.5426","0.0006","25.0252","0.0007","16.5912","0.0007","90","","109.841","0.005","90","","5679.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1297","0.099","","","0.2479","0.2645","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220523","14.7573","0.0007","24.3576","0.0007","17.9206","0.001","90","","117.685","0.003","90","","5704.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1221","0.0762","","","0.1942","0.2237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220524","8.5607","0.001","14.1023","0.0017","20.294","0.002","88.5392","0.0017","86.4998","0.0015","81.2519","0.0016","2416.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Gd4 N6 O45 -","- C24 H42 Gd4 N6 O45 -","- C48 H84 Gd8 N12 O90 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.069","0.057","","","0.1455","0.1516","","","","","","1.056","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220525","8.5627","0.0015","14.078","0.003","20.297","0.004","88.568","0.003","86.325","0.004","81.382","0.003","2413.8","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N6 O45 Tb4 -","- C24 H35 N6 O45 Tb4 -","- C48 H70 N12 O90 Tb8 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.2457","0.1347","","","0.2557","0.2983","","","","","","0.971","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220546","10.651","0.001","10.802","0.001","12.528","0.001","97.671","0.004","92.238","0.004","110.803","0.003","1329.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL5i(azpy)]","","","- C28 H26 Fe N6 O6 -","- C28 H26 Fe N6 O6 -","- C56 H52 Fe2 N12 O12 -","2","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0557","0.0356","","","0.0754","0.0801","","","","","","0.923","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220547","17.134","0.002","16.762","0.002","21.725","0.004","90","","90.206","0.015","90","","6239.4","1.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeL5b(azpy)].0,5azpy","","","- C33 H30 Fe N8 O4 -","- C33 H30 Fe N8 O4 -","- C264 H240 Fe8 N64 O32 -","8","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0815","0.0485","","","0.1019","0.111","","","","","","0.922","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220551","17.679","0.005","27.134","0.007","6.9113","0.0018","90","","94.222","0.008","90","","3306.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H44 Cd N4 O16 -","- C24 H43 Cd N4 O16 -","- C96 H172 Cd4 N16 O64 -","4","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0516","0.043","","","0.1306","0.1455","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220552","10.149","0.0005","10.2936","0.0005","13.6107","0.0007","104.922","0.004","109.154","0.005","95.153","0.004","1274.01","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","1","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0411","0.0373","","","0.0785","0.0801","","","","","","1.45","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220553","14.9067","0.0004","9.467","0.0003","18.6466","0.0005","90","","108.471","0.002","90","","2495.88","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O3 -","- C27 H33 Cl N2 O3 -","- C108 H132 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0559","0.0454","","","0.119","0.1249","","","","2","2","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220554","9.9394","0.0006","9.3964","0.0008","28.5819","0.0017","90","","98.318","0.005","90","","2641.3","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N O4 -","- C28 H38 Cl N O4 -","- C112 H152 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0578","0.0447","","","0.1158","0.1246","","","","1.62","1.62","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220555","13.654","0.002","9.739","0.0014","18.621","0.002","90","","106.609","0.012","90","","2372.8","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O4 -","- C26 H34 Cl N O4 -","- C104 H136 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0553","0.0467","","","0.12","0.1259","","","","1.91","1.91","1.8","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220556","9.9289","0.0003","9.429","0.0003","26.8357","0.001","90","","97.556","0.003","90","","2490.53","0.14","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 O5 -","- C26 H33 Cl N2 O5 -","- C104 H132 Cl4 N8 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0587","0.0506","","","0.1305","0.1368","","","","1.93","1.93","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220557","15.1562","0.0007","9.536","0.0003","18.8677","0.0008","90","","109.782","0.004","90","","2566.02","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O3 -","- C28 H35 Cl N2 O3 -","- C112 H140 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0488","0.0416","","","0.1108","0.1158","","","","1.92","1.92","1.83","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220558","39.7859","0.0005","6.9575","0.0001","17.1898","0.0004","90","","100.099","0.0014","90","","4684.6","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O4.5 -","- C25 H33 Cl N O4.5 -","- C200 H264 Cl8 N8 O36 -","8","2","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0511","0.0457","","","0.1199","0.1254","","","","1.97","1.97","1.91","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7220559","19.1988","0.0007","13.1107","0.0003","9.5387","0.0003","90","","98.175","0.003","90","","2376.59","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N O5 -","- C25 H34 Cl N O5 -","- C100 H136 Cl4 N4 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0958","0.0988","","","","1.62","1.62","1.56","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220560","14.2221","0.0011","5.7852","0.0005","7.3262","0.0006","90","","114.168","0.002","90","","549.95","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Atuchin, V. V.; Ivannikova, N. V.; Komonov, A. I.; Kuratieva, N. V.; Loshkarev, I. D.; Pervukhina, N. V.; Pokrovsky, L. D.; Shlegel, V. N.","The low thermal gradient Czochralski crystal growth and microstructural properties of a Pb2MoO5(20−1) cleaved surface","CrystEngComm","2015","17","24","4512","","10.1039/C5CE00309A","","","0.71073","MoKα","","0.0358","0.0336","","","0.0834","0.0851","","","","","","1.036","","","","has coordinates","143398","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220563","8.7022","0.0003","8.952","0.0003","12.6698","0.0006","106.807","0.004","90.983","0.003","110.054","0.002","880.1","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","1","0.5","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.71073","MoKα","","0.047","0.0342","","","0.0812","0.0871","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220564","6.234","0.0012","11.118","0.002","11.948","0.002","86.78","0.03","79.95","0.03","83.01","0.03","808.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cu2 O15 -","- C8 H10 Cu2 O15 -","- C16 H20 Cu4 O30 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.7383","","","0.0719","0.0615","","","0.1767","0.1912","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220566","18.6107","0.0005","18.6107","0.0005","4.8022","0.0003","90","","90","","90","","1663.28","0.12","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cu2 O16 -","- C8 H20 Cu2 O16 -","- C32 H80 Cu8 O64 -","4","0.25","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0314","0.0299","","","0.0788","0.0805","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220567","8.0007","0.0008","11.0476","0.0009","14.0408","0.0011","110.768","0.008","96.37","0.008","97.671","0.007","1133.12","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Cu4 O21 -","- C16 H8 Cu4 O21 -","- C32 H16 Cu8 O42 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0614","0.0498","","","0.1359","0.149","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220595","16.337","0.003","11.925","0.002","14.007","0.003","90","","100.84","0.03","90","","2680.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 O9 S Zn -","- C6 H8 N6 O9 S Zn -","- C48 H64 N48 O72 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0489","0.0376","","","0.0782","0.083","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220596","6.6953","0.0013","8.7758","0.0018","10.028","0.002","64.41","0.03","76.36","0.03","82.37","0.03","516.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N5 O5 S Zn0.5 -","- C6 H6 N5 O5 S Zn0.5 -","- C12 H12 N10 O10 S2 Zn -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0221","0.0217","","","0.056","0.0564","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220597","6.7656","0.0006","8.7886","0.0007","10.0635","0.0008","64.603","0.005","76.394","0.005","82.581","0.005","525.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co0.5 N5 O5 S -","- C6 H6 Co0.5 N5 O5 S -","- C12 H12 Co N10 O10 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0528","0.0338","","","0.0642","0.0701","","","","","","0.937","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220598","13.8786","0.0008","13.6808","0.0006","16.6792","0.0011","90","","112.229","0.003","90","","2931.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu0.5 N5 O6 S -","- C9 H12 Cu0.5 N5 O6 S -","- C72 H96 Cu4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0456","0.0385","","","0.0992","0.1066","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220599","10.269","0.002","15.04","0.003","15.004","0.003","90","","100.71","0.03","90","","2276.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn0.5 N5 O6 S -","- C6 H8 Mn0.5 N5 O6 S -","- C48 H64 Mn4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.063","0.0597","","","0.1867","0.1906","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220600","10.184","0.002","16.442","0.003","14.923","0.003","90","","99.55","0.03","90","","2464.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Co0.5 N4 O7 S -","- C6 H8 Cl Co0.5 N4 O7 S -","- C48 H64 Cl8 Co4 N32 O56 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.086","0.0537","","","0.1016","0.1122","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220601","9.6762","0.0005","23.2403","0.0015","16.8723","0.0011","90","","101.63","0.004","90","","3716.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N4 O11 S Zn -","- C11 H13 Cl N4 O11 S Zn -","- C88 H104 Cl8 N32 O88 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.048","0.0322","","","0.0873","0.0964","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220602","6.6171","0.0004","10.0019","0.0006","10.9248","0.0007","64.702","0.003","80.817","0.004","88.608","0.004","644.54","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cd N10 O2 S -","- C6 H6 Cd N10 O2 S -","- C12 H12 Cd2 N20 O4 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0239","0.0226","","","0.0613","0.0625","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220604","17.052","0.003","10.831","0.002","12.777","0.003","90","","119.06","0.03","90","","2062.7","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl0 N4 Ni0.5 O4 S1.5 -","- C6 H6 N4 Ni0.5 O4 S1.5 -","- C48 H48 N32 Ni4 O32 S12 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0562","0.0389","","","0.0847","0.0904","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220605","18.592","0.004","8.3621","0.0017","19.857","0.004","90","","100.14","0.03","90","","3038.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Cd N2 O8 S0.5 -","- C13 H9 Cd N2 O8 S0.5 -","- C104 H72 Cd8 N16 O64 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0543","0.039","","","0.0804","0.0858","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220606","10.906","0.003","14.095","0.003","14.294","0.003","90","","105.16","0.012","90","","2120.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Ni5 S10 -","- C10 H20 Ni5 S10 -","- C40 H80 Ni20 S40 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0656","0.0413","","","0.0713","0.0792","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220607","10.7","0.008","14.844","0.01","15.567","0.01","66.82","0.06","75.32","0.06","72.64","0.06","2143","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1673","0.0821","","","0.1361","0.164","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220609","11.621","0.002","12.8025","0.0018","14.234","0.002","90","","103.641","0.01","90","","2058","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Ni6 S12 -","- C32 H36 Ni6 S12 -","- C64 H72 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0816","0.0547","","","0.1374","0.1659","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220611","17.0393","0.0006","17.8176","0.0006","20.2468","0.0007","112.788","0.003","97.045","0.003","90.308","0.003","5614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N8 Nd3 O19.5 -","- C46.5 H58 N8 Nd3 O19 -","- C186 H232 N32 Nd12 O76 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1129","0.0875","","","0.2228","0.2401","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220612","16.8042","0.0007","17.6752","0.0006","19.4071","0.0011","69.39","0.004","82.993","0.004","89.895","0.003","5349.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 N8 O18.5 Tb3 -","- C44 H47 N8 O16 Tb3 -","- C176 H188 N32 O64 Tb12 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1396","0.0884","","","0.2148","0.2518","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220613","16.7829","0.0007","17.6513","0.0006","19.3643","0.0011","69.388","0.004","83.013","0.004","89.894","0.003","5324.2","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 Dy3 N8 O18.5 -","- C44 H47 Dy3 N8 O16 -","- C176 H188 Dy12 N32 O64 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1218","0.0772","","","0.195","0.2272","","","","","","0.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220614","9.4831","0.0004","10.3029","0.0004","12.9928","0.0005","86.142","0.003","87.7","0.003","76.628","0.003","1231.83","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 Nd O9 S -","- C18 H23 N6 Nd O9 S -","- C36 H46 N12 Nd2 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0285","0.0238","","","0.0523","0.0551","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220615","9.4373","0.0005","10.2862","0.0006","12.9039","0.0006","85.73","0.004","88.061","0.004","76.723","0.005","1215.59","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 O9 S Tb -","- C18 H23 N6 O9 S Tb -","- C36 H46 N12 O18 S2 Tb2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0345","0.0281","","","0.0542","0.0572","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220616","9.421","0.002","10.2707","0.0017","12.909","0.002","85.595","0.014","87.715","0.016","76.894","0.016","1212.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Dy N6 O9 S -","- C18 H23 Dy N6 O9 S -","- C36 H46 Dy2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0386","0.035","","","0.0868","0.0901","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220617","9.3532","0.0007","10.1772","0.0004","12.8201","0.0005","85.678","0.003","87.922","0.004","76.71","0.005","1184.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Er N6 O9 S -","- C18 H23 Er N6 O9 S -","- C36 H46 Er2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0265","0.0239","","","0.0541","0.0556","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220618","18.114","0.0003","15.7015","0.0002","22.3234","0.0003","90","","97.683","0.002","90","","6292.16","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H28 Cl Dy N8 O6.5 -","- C30.5 H28 Cl Dy N8 O6.5 -","- C244 H224 Cl8 Dy8 N64 O52 -","8","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0553","0.037","","","0.0744","0.0826","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220620","29.139","0.018","8.292","0.006","22.798","0.015","90","","94.97","0.011","90","","5488","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N3 O7 Zn -","- C28 H23 N3 O7 Zn -","- C224 H184 N24 O56 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.0936","0.0527","","","0.127","0.1458","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220621","9.3089","0.0006","50.079","0.003","14.5655","0.0009","90","","107.953","0.001","90","","6459.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N10 O9 Zn2 -","- C76 H54 N10 O9 Zn2 -","- C304 H216 N40 O36 Zn8 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1526","0.061","","","0.1374","0.1802","","","","","","1.038","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220622","21.485","0.005","18.709","0.004","21.225","0.004","90","","118.707","0.004","90","","7483","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 N6 O17 Zn2 -","- C66 H54 N6 O17 Zn2 -","- C264 H216 N24 O68 Zn8 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.182","0.0781","","","0.2116","0.2716","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220623","14.3887","0.0018","15.538","0.002","17.003","0.002","87.718","0.003","65.714","0.002","76.845","0.003","3367.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 N10 O12 Zn2 -","- C76 H54 N10 O12 Zn2 -","- C152 H108 N20 O24 Zn4 -","2","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.2109","0.0798","","","0.1798","0.2577","","","","","","0.964","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220625","10.6126","0.0014","13.057","0.0016","18.873","0.002","77.782","0.002","81.567","0.002","73.826","0.002","2444.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 N16 O13 Zn2 -","- C92 H84 N16 O14 Zn2 -","- C92 H84 N16 O14 Zn2 -","1","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.137","0.0766","","","0.2134","0.2394","","","","","","1.019","","","","has coordinates,has disorder","153115","2020-10-21","18:00:00",""
"7220626","28.327","0.004","6.0289","0.0008","29.409","0.004","90","","107.892","0.003","90","","4779.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O10 Zn -","- C58 H42 N4 O10 Zn -","- C232 H168 N16 O40 Zn4 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1328","0.0554","","","0.1234","0.1666","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220628","14.7273","0.0016","34.677","0.004","8.2504","0.0009","90","","104.498","0.002","90","","4079.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N7 O6 Zn -","- C44 H36 N7 O6 Zn -","- C176 H144 N28 O24 Zn4 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.165","0.1139","","","0.297","0.325","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220630","10.2375","0.0009","4.5168","0.0005","14.7924","0.0013","90","","107.394","0.008","90","","652.73","0.11","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Harscoat-Schiavo, C.; Neurohr, C.; Lecomte, S.; Marchivie, M.; Subra-Paternault, P.","Influence of isomerism on recrystallization and cocrystallization induced by CO2as an antisolvent","CrystEngComm","2015","17","29","5410","","10.1039/C5CE00753D","","","1.54187","CuKα","","0.102","0.0699","","","0.1718","0.23","","","","","","1.016","","","","has coordinates","153118","2020-10-21","18:00:00",""
"7220631","6.5122","0.0006","27.61","0.02","14.0669","0.0013","90","","102.55","0.009","90","","2468.8","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2578","0.1192","","","0.3185","0.4008","","","","","","1.187","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220632","6.4776","0.0007","27.51","0.03","14.0381","0.0015","90","","102.456","0.01","90","","2443","3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2476","0.1177","","","0.317","0.3922","","","","","","1.197","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220633","6.5011","0.001","27.23","0.02","13.949","0.002","90","","102.615","0.015","90","","2409.7","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2814","0.1163","","","0.2809","0.3944","","","","","","1.01","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220634","6.538","0.003","26.99","0.14","13.93","0.005","90","","102.68","0.04","90","","2398","13","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H9.67 N2 -","- C9 H9.66667 N2 -","- C108 H116 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2291","0.0883","","","0.2049","0.2909","","","","","","1.011","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220635","6.487","0.002","26.63","0.12","13.831","0.004","90","","102.5","0.03","90","","2333","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1776","0.073","","","0.1559","0.2103","","","","","","1.043","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220641","12.8185","0.001","14.0656","0.0011","11.5956","0.0009","90","","112.133","0.001","90","","1936.6","0.3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1beta","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0611","0.0485","","","0.1391","0.153","","","","","","1.06","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220642","12.388","0.003","5.0693","0.0011","15.112","0.003","90","","94.269","0.003","90","","946.4","0.4","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1aplha","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0825","0.053","","","0.134","0.1595","","","","","","1.013","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220659","8.2953","0.0002","10.6258","0.0005","12.4574","0.0004","83.389","0.006","81.479","0.003","84.419","0.004","1075.11","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0786","0.0371","","","0.0791","0.1087","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220660","8.02","0.0005","14.212","0.0006","14.6203","0.0007","104.84","0.003","97.235","0.003","93.608","0.005","1590.12","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0977","0.0531","","","0.11","0.1341","","","","","","1.072","","","","has coordinates,has disorder","153121","2020-10-21","18:00:00",""
"7220661","10.5149","0.0011","12.0894","0.0012","29.347","0.003","90","","92.74","0.008","90","","3726.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 Cu2 F8 Hg2 N6 O2 -","- C26 H32 Cu2 Hg2 N6 O2 -","- C104 H128 Cu8 Hg8 N24 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.243","0.0564","","","0.1156","0.1723","","","","","","0.629","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220662","14.6075","0.0013","8.1508","0.0012","15.9817","0.001","90","","94.662","0.007","90","","1896.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N2 O2 -","- C22 H18 Hg N2 O2 -","- C88 H72 Hg4 N8 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1268","0.0593","","","0.0889","0.1134","","","","","","0.923","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220675","9.6476","0.0006","10.2117","0.0007","16.4488","0.0011","107.366","0.001","95.221","0.001","99.914","0.001","1505.97","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Fe2 N5 O10 -","- C33 H21 Fe2 N5 O10 -","- C66 H42 Fe4 N10 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.037","0.0331","","","0.0931","0.0959","","","","","","1.043","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220676","7.6476","0.0005","12.1053","0.0007","16.8248","0.001","90","","98.488","0.002","90","","1540.52","0.16","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C33 H21 Cu N5 O10 -","- C33 H21 Cu N5 O10 -","- C66 H42 Cu2 N10 O20 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0911","0.0645","","","0.1411","0.1531","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220677","24.5299","0.0012","12.3443","0.0006","31.5597","0.0015","90","","100.337","0.001","90","","9401.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 Co3 N18 O24 -","- C90 H64 Co3 N18 O24 -","- C360 H256 Co12 N72 O96 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0682","0.0549","","","0.1671","0.1804","","","","","","1.107","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220678","10.898","0.002","12.605","0.003","28.807","0.006","90","","96.326","0.004","90","","3933.1","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Co2 N9 O9 -","- C45 H31 Co2 N9 O9 -","- C180 H124 Co8 N36 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0628","0.0412","","","0.104","0.1243","","","","","","1.084","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220679","17.6549","0.0009","16.6017","0.0007","19.0614","0.0009","90","","112.771","0.002","90","","5151.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 Mn2 N13 O12 -","- C57 H47 Mn2 N13 O12 -","- C228 H188 Mn8 N52 O48 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0457","0.0367","","","0.0859","0.091","","","","","","1.045","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220680","8.886","0.002","18.133","0.004","13.793","0.003","90","","106.672","0.004","90","","2129","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 S2 Zn -","- C18 H19 N5 S2 Zn -","- C72 H76 N20 S8 Zn4 -","4","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.1072","0.0871","","","0.239","0.2597","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220681","9.1391","0.0005","9.3535","0.0006","22.769","0.001","97.837","0.002","91.624","0.002","96.775","0.002","1912.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N9 O0.5 Zn -","- C16 H19 N9 O0.5 Zn -","- C64 H76 N36 O2 Zn4 -","4","2","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0493","0.0349","","","0.093","0.1004","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220682","10.5195","0.0006","12.7921","0.0007","13.6828","0.0008","62.887","0.002","68.064","0.002","87.976","0.003","1499.82","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl N5 Ni O5 S -","- C29 H28 Cl N5 Ni O5 S -","- C58 H56 Cl2 N10 Ni2 O10 S2 -","2","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0803","0.0466","","","0.1188","0.1401","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220683","7.1589","0.0012","10.1414","0.0012","12.8984","0.0016","67.555","0.012","73.912","0.013","78.022","0.012","826.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N2 O6 -","- C16 H12 Cl2 Cu N2 O6 -","- C32 H24 Cl4 Cu2 N4 O12 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.1121","0.089","","","0.2181","0.2511","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220684","7.8516","0.0002","9.3769","0.0002","11.8132","0.0003","97.965","0.001","108.633","0.001","111.107","0.001","736.53","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl Cu N5 O -","- C16 H10 Cl Cu N5 O -","- C32 H20 Cl2 Cu2 N10 O2 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0261","0.024","","","0.0649","0.0662","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220685","18.2712","0.0004","10.8166","0.0004","18.3726","0.0006","90","","110.64","0.002","90","","3397.96","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C144 H136 Cl8 Cu8 N16 O24 -","8","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0292","0.0252","","","0.0692","0.0719","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220691","6.155","0.0019","7.64","0.0018","23.508","0.007","96.36","0.03","91.92","0.03","94.01","0.03","1095","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(4-butyloxyacetophenon)azine","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio","A topotactic transition in a liquid crystal compound","CrystEngComm","2015","17","46","8864","","10.1039/C5CE00660K","","x-ray","0.71069","MoKα","","0.1056","0.0629","","","0.1608","0.1905","","","","","","1.026","","","","has coordinates,has disorder","173746","2020-10-21","18:00:00",""
"7220694","9.4289","0.0005","9.4465","0.0005","19.5338","0.001","77.352","0.003","86.44","0.003","64.489","0.002","1531.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0919","0.0832","","","0.2114","0.2159","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220695","10.1025","0.0002","12.953","0.0003","21.3753","0.0004","104.286","0.001","99.437","0.001","102.3","0.001","2578.22","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0703","0.0556","","","0.153","0.165","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220696","8.6147","0.0006","16.5484","0.0012","9.3691","0.0007","90","","93.617","0.001","90","","1332.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0573","0.041","","","0.1037","0.1604","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220697","11.5527","0.0012","26.816","0.003","15.4979","0.0016","90","","109.134","0.002","90","","4536","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cd pyim2 PF6","","","- C34 H46 Cd F12 N14 O4 P2 -","- C34 H46 Cd F12 N14 O4 P2 -","- C136 H184 Cd4 F48 N56 O16 P8 -","4","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0735","0.0513","","","0.121","0.158","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220698","9.979","0.005","10.302","0.005","15.743","0.005","80.924","0.005","73.374","0.005","65.235","0.005","1406.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn-pyim2 td","","","- C22 H18 F12 N10 P2 Zn -","- C22 H18 F12 N10 P2 Zn -","- C44 H36 F24 N20 P4 Zn2 -","2","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71069","MoKα","","0.0582","0.0423","","","0.0925","0.1368","","","","","","1.168","","","","has coordinates","173737","2020-10-21","18:00:00",""
"7220699","11.915","0.003","8.1768","0.0018","15.913","0.004","90","","106.617","0.004","90","","1485.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Cd pyim2 PF6 NO3","","","- C22 H26 Cd F6 N11 O7 P -","- C22 H26 Cd F6 N11 O7 P -","- C44 H52 Cd2 F12 N22 O14 P2 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0476","0.0365","","","0.0833","0.1151","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220726","22.103","0.003","19.932","0.003","15.101","0.002","90","","130.848","0.002","90","","5032.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O22 S4 Zn -","- C42 H48 N6 O22 S4 Zn -","- C168 H192 N24 O88 S16 Zn4 -","4","0.5","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1685","0.089","","","0.2462","0.3006","","","","","","1.017","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7220727","8.2928","0.0016","11.423","0.002","12.436","0.002","101.262","0.002","103.547","0.002","96.798","0.002","1106.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd N3 O8 S2 -","- C21 H17 Cd N3 O8 S2 -","- C42 H34 Cd2 N6 O16 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0436","0.0364","","","0.0837","0.0883","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220728","36.038","0.012","19.963","0.007","8.853","0.003","90","","95.622","0.006","90","","6338","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H73 Ag N3 O36 S2 -","- C21 H13 Ag N3 O9 S2 -","- C168 H104 Ag8 N24 O72 S16 -","8","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.2738","0.1036","","","0.2613","0.3455","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220729","7.38","0.005","20.931","0.013","16.474","0.009","90","","110.8","0.02","90","","2379","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag N3 O10 S2 -","- C21 H16 Ag N3 O10 S2 -","- C84 H64 Ag4 N12 O40 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1779","0.087","","","0.1999","0.2569","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220730","8.538","0.003","10.962","0.005","12.083","0.005","87.664","0.007","85.159","0.008","81.961","0.008","1115.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Ag2 N3 O6 S2 -","- C21 H13 Ag2 N3 O6 S2 -","- C42 H26 Ag4 N6 O12 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1042","0.0638","","","0.168","0.2","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220731","10.8904","0.0007","12.8137","0.0009","17.386","0.0011","105.159","0.001","94.273","0.001","94.113","0.001","2324.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Ag4 N6 O17 S4 -","- C42 H36 Ag4 N6 O17 S4 -","- C84 H72 Ag8 N12 O34 S8 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0878","0.0595","","","0.1697","0.2007","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220732","8.352","0.0011","11.7428","0.0016","12.3408","0.0016","100.67","0.002","101.093","0.002","97.04","0.002","1151.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N3 O8 Pb S2 -","- C21 H17 N3 O8 Pb S2 -","- C42 H34 N6 O16 Pb2 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0314","0.0281","","","0.0677","0.0689","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220733","13.784","0.003","14.323","0.003","13.791","0.003","90","","91.018","0.004","90","","2722.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O12 Pb S2 -","- C21 H25 N3 O12 Pb S2 -","- C84 H100 N12 O48 Pb4 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.109","0.0493","","","0.1019","0.1219","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220734","13.77","0.002","13.77","0.002","59.621","0.009","90","","90","","90","","11305","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H19 K N4 O12 Pb S2 -","- C21 H13 K N4 O12 Pb S2 -","- C336 H208 K16 N64 O192 Pb16 S32 -","16","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1494","0.0801","","","0.2108","0.2468","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220745","9.874","0.0001","13.6348","0.0001","19.5627","0.0002","90","","91.566","0.0005","90","","2632.74","0.04","153","","153","","","","","","","","dichloromethane","3","P 1 21/c 1","-P 2ybc","14","","octadehydrotribenzo[14]annulene","","- C34 H20 O8 -","- C34 H20 O8 -","- C136 H80 O32 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","0.8","synchrotron","","0.049","0.0486","","","0.1341","0.1345","","","","","","1.051","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220756","11.5165","0.0009","33.108","0.003","15.349","0.0014","90","","103.074","0.006","90","","5700.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H35 N O5 Zn -","- C55 H35 N O5 Zn -","- C220 H140 N4 O20 Zn4 -","4","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.0816","0.0747","","0.1986","0.1941","0.1986","","","","","","0.9929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220757","17.128","0.008","35.003","0.016","11.62","0.005","90","","119.498","0.006","90","","6064","5","90","","90","","","","","","","","synthesized","4","C 1 2/m 1","-C 2y","12","","","","- C26 H15 O2.5 Zn0.5 -","- C26 H15 O2.5 Zn0.5 -","- C208 H120 O20 Zn4 -","8","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","0.71073","MoKα","","0.1135","0.0904","","0.2537","0.2208","0.2537","","","","","","0.9876","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220758","17.2471","0.0019","18.932","0.003","21.34","0.002","88.588","0.01","73.431","0.007","66.759","0.008","6106.1","1.4","90","","90","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H71 N4 O12 Zn2.5 -","- C117 H71 N4 O12 Zn2.5 -","- C234 H142 N8 O24 Zn5 -","2","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.2095","0.1673","","0.3903","0.3658","0.3903","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220763","8.697","0.006","25.05","0.017","11.638","0.008","90","","104.01","0.01","90","","2460","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl2 Cu4 N4 O30 -","- C32 H26 Cl2 Cu4 N4 O30 -","- C64 H52 Cl4 Cu8 N8 O60 -","2","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0466","0.0378","","","0.1074","0.1118","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220764","12.0276","0.0011","5.2148","0.0004","17.8366","0.0016","90","","91.773","0.001","90","","1118.2","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ag2(L)(NO3)]-(H2O)","","- C8 H8 Ag2 N2 O8 -","- C8 H8 Ag2 N2 O8 -","- C32 H32 Ag8 N8 O32 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0404","0.0388","","","0.099","0.1005","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220766","24.044","0.003","10.7102","0.0014","16.138","0.002","90","","110.264","0.002","90","","3898.6","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br2 N4 O18 Pb3 -","- C32 H28 Br2 N4 O18 Pb3 -","- C128 H112 Br8 N16 O72 Pb12 -","4","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0735","0.0658","","","0.2075","0.2161","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220795","12.7448","0.001","12.7563","0.0009","16.1414","0.0012","78.129","0.001","74.374","0.001","83.622","0.001","2468.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H80 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0613","0.0522","","","0.1337","0.1393","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220796","12.7304","0.0005","13.0108","0.0005","15.9909","0.0006","75.315","0.001","74.399","0.001","76.075","0.001","2425.05","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0923","0.0942","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220797","12.7569","0.0012","13.068","0.0012","16.02","0.0015","75.273","0.001","74.405","0.001","75.971","0.001","2444","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Dy2 Fe4 H92 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0566","0.0503","","","0.1271","0.1312","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220798","12.7131","0.0016","12.9743","0.0017","15.96","0.002","75.09","0.002","74.312","0.002","75.818","0.002","2405.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0522","0.0432","","","0.1106","0.1157","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220799","12.7178","0.0005","13.005","0.0005","15.9829","0.0006","75.204","0.001","74.375","0.001","75.946","0.001","2418","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0599","0.0549","","","0.145","0.1493","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220800","22.5048","0.0015","13.6765","0.0009","30.833","0.002","90","","97.187","0.001","90","","9415.4","1.1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C120 H240 Cu4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0716","0.0438","","","0.0906","0.1091","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220801","22.585","0.012","13.697","0.007","30.282","0.015","90","","97.645","0.008","90","","9284","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C120 H240 Fe4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71","MoKα","","0.0769","0.0514","","","0.087","0.1096","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220802","22.948","0.012","13.853","0.007","30.672","0.015","90","","97.682","0.008","90","","9663","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C120 H264 Mo72 N48 O328 P24 Sr4 Zn4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0653","0.046","","","0.0959","0.1109","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220803","22.648","0.007","13.534","0.004","30.225","0.009","90","","97.733","0.005","90","","9180","5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C120 H264 Mo72 N48 Ni4 O328 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0652","0.0514","","","0.101","0.092","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220804","23.293","0.016","14.056","0.01","31.34","0.02","90","","97.651","0.012","90","","10170","12","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C120 H248 Co4 Mo72 N48 O320 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.051","0.0386","","","0.0898","0.0953","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220808","7.9698","0.0004","9.7137","0.0005","10.377","0.0005","116.863","0.001","107.286","0.001","95.696","0.001","658.07","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0275","0.0259","","","0.0664","0.0674","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220809","7.9987","0.0006","9.813","0.0006","10.4856","0.0006","116.667","0.004","107.471","0.004","95.656","0.004","674.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 Nd O9 -","- C9 H13 N4 Nd O9 -","- C18 H26 N8 Nd2 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0282","0.0273","","","0.0701","0.0707","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220810","7.9812","0.0003","9.7491","0.0004","10.4153","0.0004","116.803","0.001","107.37","0.001","95.67","0.001","663.93","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0225","0.021","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220811","7.9849","0.0016","9.783","0.002","10.443","0.002","116.75","0.03","107.36","0.03","95.71","0.03","668.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 O9 Sm -","- C9 H13 N4 O9 Sm -","- C18 H26 N8 O18 Sm2 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0365","0.0341","","","0.0768","0.0774","","","","","","1.572","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220812","7.9767","0.0005","9.7325","0.0005","10.3966","0.0006","116.821","0.001","107.333","0.001","95.669","0.001","661.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Gd N4 O9 -","- C9 H13 Gd N4 O9 -","- C18 H26 Gd2 N8 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0295","0.0284","","","0.0746","0.0754","","","","","","1.038","","","","has coordinates","153111","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220814","9.8747","0.0008","6.7895","0.0006","17.9044","0.0015","90","","101.958","0.001","90","","1174.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cd2 N13 O -","- C6 H7 Cd2 N13 O -","- C24 H28 Cd8 N52 O4 -","4","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.063","0.0488","","","0.1028","0.1183","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7220817","25.319","0.005","14.309","0.003","7.0137","0.0014","90","","96.379","0.003","90","","2525.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N10 O8 Zn3 -","- C18 H12 N10 O8 Zn3 -","- C72 H48 N40 O32 Zn12 -","4","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0447","0.0326","","","0.0691","0.073","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220818","7.3781","0.0013","13.574","0.002","13.578","0.002","113.181","0.002","103.841","0.002","90.952","0.002","1204.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23.65 Cd9 N30 O21.83 -","- C18 H23.656 Cd9 N30 O21.828 -","- C18 H23.656 Cd9 N30 O21.828 -","1","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0467","0.0346","","","0.0764","0.0844","","","","","","1.035","","","","has coordinates","153096","2020-10-21","18:00:00",""
"7220819","16.852","0.002","17.116","0.002","9.7103","0.0014","90","","118.683","0.002","90","","2457.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N5 O3 Zn -","- C8 H9 N5 O3 Zn -","- C64 H72 N40 O24 Zn8 -","8","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0506","0.0453","","","0.1552","0.1601","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220820","15.023","0.002","10.1643","0.0013","18.196","0.003","90","","114.233","0.002","90","","2533.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O11 Zn2 -","- C20 H22 N2 O11 Zn2 -","- C80 H88 N8 O44 Zn8 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0403","0.0319","","","0.0731","0.0788","","","","","","1.048","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220821","5.8438","0.0013","12.088","0.003","15.288","0.003","90","","99.975","0.005","90","","1063.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 N O5 Zn -","- C10 H10 N O5 Zn -","- C40 H40 N4 O20 Zn4 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0482","0.0363","","","0.0837","0.0922","","","","","","1.103","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220822","12.956","0.002","9.8991","0.001","16.96","0.002","90","","109.75","0.002","90","","2047.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 N2 Ni O8 -","- C16 H22 N2 Ni O8 -","- C64 H88 N8 Ni4 O32 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0422","0.033","","","0.0812","0.0879","","","","","","1.058","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220823","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220825","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220826","6.046","0.003","6.82","0.003","9.086","0.004","83.37","0.007","81.332","0.007","68.356","0.006","343.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.024","0.0236","","","0.0626","0.0632","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220827","22.145","0.007","5.6942","0.0018","11.621","0.004","90","","98.19","0.006","90","","1450.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C24 H32 Fe4 N40 O8 S8 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0313","0.0292","","","0.0734","0.0747","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220828","7.3937","0.0008","8.198","0.0009","12.7674","0.0014","76.242","0.002","74.662","0.002","86.512","0.002","724.9","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Br Fe0.5 N12 O3 -","- C6 H12 Br Fe0.5 N12 O3 -","- C12 H24 Br2 Fe N24 O6 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0389","0.0338","","","0.0867","0.0896","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220829","12.2481","0.0013","5.6785","0.0006","17.9506","0.0018","90","","106.572","0.002","90","","1196.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N10 S2 Zn -","- C6 H4 N10 S2 Zn -","- C24 H16 N40 S8 Zn4 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0208","0.0201","","","0.0503","0.0511","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220830","7.4935","0.0006","7.8714","0.0006","12.2388","0.001","72.325","0.001","83.164","0.001","82.913","0.001","680.02","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N10 O0.5 S2 Zn -","- C6 H4 N10 O0.5 S2 Zn -","- C12 H8 N20 O S4 Zn2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0339","0.0304","","","0.0772","0.0791","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220831","7.94","0.004","8.039","0.004","12.89","0.007","100.729","0.007","107.661","0.007","91.364","0.008","767.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.1114","0.0763","","","0.1919","0.2141","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220832","8.2723","0.0012","20.345","0.003","8.6343","0.0011","90","","92.36","0.002","90","","1451.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 Cu F8 N24 O2 -","- C12 H16 B2 Cu F8 N24 O2 -","- C24 H32 B4 Cu2 F16 N48 O4 -","2","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.034","0.0304","","","0.0744","0.0764","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220847","22.777","0.005","25.033","0.005","25.074","0.005","119.76","0.03","93.5","0.03","92.99","0.03","12332","6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H72 Cu6 O42 -","- C108 H72 Cu6 O42 -","- C216 H144 Cu12 O84 -","2","1","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.1253","0.0975","","","0.2626","0.2959","","","","","","1.038","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220848","12.079","0.002","12.382","0.003","12.568","0.003","99.99","0.03","96","0.03","91.29","0.03","1839.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","1","0.5","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.131","0.0967","","","0.2757","0.3012","","","","","","1.055","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220863","13.858","0.002","4.3834","0.0007","11.1513","0.0017","90","","98.584","0.002","90","","669.8","0.18","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0257","0.0215","","","0.0539","0.0551","","","","","","1.057","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220864","13.8531","0.0019","4.3928","0.0006","11.1633","0.0015","90","","98.597","0.002","90","","671.7","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0269","0.0217","","","0.0538","0.0553","","","","","","1.061","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220865","13.891","0.002","4.4024","0.0007","11.1676","0.0017","90","","98.719","0.002","90","","675.05","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0318","0.0245","","","0.0601","0.0623","","","","","","1.052","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220866","13.936","0.002","4.4112","0.0007","11.1717","0.0016","90","","98.84","0.002","90","","678.62","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.037","0.027","","","0.0633","0.066","","","","","","1.081","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220867","13.9822","0.0018","4.4209","0.0006","11.1785","0.0014","90","","98.951","0.002","90","","682.57","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0425","0.0283","","","0.0668","0.0714","","","","","","1.055","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220868","14.0179","0.0018","4.4297","0.0006","11.1892","0.0014","90","","99.047","0.002","90","","686.15","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0488","0.0299","","","0.0703","0.0759","","","","","","1.036","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220869","14.051","0.002","4.4406","0.0006","11.2041","0.0016","90","","99.129","0.002","90","","690.22","0.17","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.054","0.0312","","","0.0722","0.0797","","","","","","1.023","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220870","14.0837","0.0018","4.4538","0.0006","11.2236","0.0014","90","","99.2049","0.0018","90","","694.95","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0689","0.0391","","","0.0837","0.0963","","","","","","1.032","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220871","14.105","0.003","4.4657","0.001","11.245","0.002","90","","99.262","0.003","90","","699.1","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0753","0.035","","","0.0767","0.0877","","","","","","1.008","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220872","14.129","0.005","4.4805","0.0014","11.264","0.004","90","","99.369","0.005","90","","703.6","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.07","0.0323","","","0.0822","0.0944","","","","","","1.001","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220873","12.9324","0.0011","4.4704","0.0004","11.5909","0.001","90","","102.592","0.001","90","","653.99","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0296","0.0274","","","0.0729","0.075","","","","","","1.065","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220874","12.9484","0.0015","4.4854","0.0005","11.6092","0.0013","90","","102.545","0.0014","90","","658.15","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0348","0.0291","","","0.0748","0.0777","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220875","12.9648","0.0011","4.5026","0.0004","11.6333","0.001","90","","102.499","0.001","90","","663","0.1","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0388","0.0323","","","0.0848","0.0902","","","","","","1.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220876","12.9974","0.0015","4.516","0.0005","11.6594","0.0013","90","","102.481","0.002","90","","668.19","0.13","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0481","0.0336","","","0.0822","0.0894","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220877","13.032","0.0011","4.5311","0.0004","11.6944","0.001","90","","102.483","0.001","90","","674.22","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0575","0.0384","","","0.0951","0.1091","","","","","","1.079","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220878","13.061","0.003","4.5482","0.0009","11.736","0.002","90","","102.463","0.003","90","","680.7","0.2","340","2","340","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0742","0.0389","","","0.0957","0.1116","","","","","","0.973","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220879","13.097","0.004","4.5652","0.0015","11.779","0.004","90","","102.471","0.005","90","","687.7","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0799","0.0453","","","0.1066","0.1272","","","","","","1.101","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220880","8.273","0.0009","10.2826","0.0012","15.1195","0.0017","96.759","0.002","101.61","0.002","105.668","0.002","1192.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.0351","0.0254","","","0.0658","0.0691","","","","","","1.021","","","","has coordinates","171065","2020-10-21","18:00:00",""
"7220881","15.4","0.0006","17.393","0.0007","17.586","0.0007","99.683","0.001","101.239","0.001","106.964","0.001","4290","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H106 Cu2 N24 O102 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.1017","0.0912","","","0.2039","0.2081","","","","","","1.197","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220882","10.8767","0.0019","12.698","0.002","14.373","0.003","113.644","0.003","92.071","0.004","114.579","0.003","1603.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.1241","0.0846","","","0.2429","0.2761","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220883","11.1118","0.0008","11.7101","0.0008","12.1289","0.0008","71.891","0.001","69.772","0.001","75.032","0.001","1387.26","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.0669","0.0405","","","0.0855","0.0955","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7220896","14.45","0.005","4.956","0.005","26.73","0.005","90","","96.301","0.005","90","","1903","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 S -","- C19 H20 N4 O2 S -","- C76 H80 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0925","0.0666","","","0.1823","0.2181","","","","","","1.04","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220897","14.858","0.0005","4.854","0.0001","26.819","0.0008","90","","90.237","0.001","90","","1934.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IPHAT 2","5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole","","- C19 H19 Cl N4 O2 S -","- C19 H19 Cl N4 O2 S -","- C76 H76 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0428","","","0.1098","0.1233","","","","","","1.025","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220898","9.6388","0.0003","16.1889","0.0004","14.8442","0.0005","90","","91.076","0.001","90","","2315.9","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-MeOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C24 H21 Cl N4 O2 S -","- C24 H21 Cl N4 O2 S -","- C96 H84 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0421","0.0348","","","0.0899","0.098","","","","","","1.037","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220899","9.672","0.0002","16.4163","0.0003","15.216","0.0003","90","","90.805","0.001","90","","2415.73","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-EtOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C25 H23 Cl N4 O2 S -","- C25 H23 Cl N4 O2 S -","- C100 H92 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0439","","","0.1136","0.1296","","","","","","1.043","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220900","11.987","0.016","12.649","0.016","14.39","0.02","102.66","0.03","106.82","0.02","93.196","0.012","2021","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CyHAT","5-benzoyl-4-cyclohexylidenehydrazino-2-phenylaminothiazole","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C88 H88 N16 O4 S4 -","4","2","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.178","0.0651","","","0.1079","0.1437","","","","","","0.605","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220902","10.4529","0.0001","16.105","0.0002","7.25488","0.0001","90","","112.369","0.001","90","","1129.41","0.02","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C48 H40 N16 O12 -","4","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0419","0.0352","","","0.0927","0.1054","","","","","","1.111","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220910","9.4974","0.0009","17.4158","0.0016","25.769","0.002","80.532","0.005","84.709","0.004","89.933","0.004","4185.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","L","","- C28 H22 N6 -","- C28 H22.005 N6 -","- C224 H176.04 N48 -","8","4","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1799","0.1044","","","0.2681","0.3286","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220911","51.246","0.003","4.7708","0.0002","17.4723","0.0008","90","","99.207","0.003","90","","4216.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C56 H43 N12 Ni -","- C56 H43 N12 Ni -","- C224 H172 N48 Ni4 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1468","0.0924","","","0.2334","0.2703","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220912","51.241","0.003","4.7974","0.0003","17.4614","0.001","90","","99.137","0.004","90","","4238","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C56 H40 Co2 N12 -","- C56 H40 Co2 N12 -","- C224 H160 Co8 N48 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1484","0.0555","","","0.1128","0.1563","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220913","8.9584","0.0002","14.6692","0.0004","19.0677","0.0005","90","","117.742","0.002","90","","2217.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C112 H80 Co4 N24 -","4","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.0737","0.0448","","","0.0935","0.1028","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220915","19.8884","0.0013","33.434","0.002","26.1619","0.0017","90","","105.04","0.002","90","","16800.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5","","- C84 H58 Co3 N12 O8 -","- C84 H58 Co3 N12 O8 -","- C672 H464 Co24 N96 O64 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1209","0.0714","","","0.2094","0.2292","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220930","13.9914","0.0002","20.2561","0.0004","23.3703","0.0005","90","","90","","90","","6623.4","0.2","293","2","293","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C60 H40 N12 O12 Zn3 -","- C60 H43 N12 O12 Zn3 -","- C240 H172 N48 O48 Zn12 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","1.54184","CuKα","","0.1478","0.0895","","","0.2142","0.2794","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220931","7.715","0.0012","8.258","0.0013","9.594","0.0016","115.02","0.005","92.541","0.005","90.02","0.005","553.21","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.067","0.0442","","","0.0886","0.0965","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220932","15.354","0.004","9.78","0.002","16.2709","0.0014","90","","104.57","0.04","90","","2364.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cu0.5 N5 O3 -","- C11 H8 Cu0.5 N5 O3 -","- C88 H64 Cu4 N40 O24 -","8","1","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.0728","0.0389","","","0.0832","0.098","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220933","15.101","0.006","9.635","0.003","16.508","0.008","90","","103.54","0.06","90","","2335.1","1.7","294","2","294","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N10 O6 -","- C22 H16 Co N10 O6 -","- C88 H64 Co4 N40 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.089","0.0451","","","0.0939","0.1055","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220934","15.327","0.008","9.623","0.006","16.459","0.008","90","","104.47","0.04","90","","2351","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 Ni O6 -","- C22 H16 N10 Ni O6 -","- C88 H64 N40 Ni4 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.2903","0.0925","","","0.0895","0.1299","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220935","7.0438","0.0007","7.8981","0.0007","12.0293","0.0011","81.397","0.003","89.396","0.003","67.424","0.003","610.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.0486","0.0389","","","0.1092","0.1157","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220936","3.98","0.002","13.759","0.007","15.461","0.008","90","","90.994","0.008","90","","846.5","0.7","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0719","0.0528","","","0.1541","0.178","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220937","3.9618","0.0019","13.745","0.007","15.47","0.008","90","","91.089","0.006","90","","842.3","0.7","283","2","283","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.07","0.0429","","","0.1089","0.1241","","","","","","0.883","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220938","3.957","0.002","13.735","0.007","15.454","0.008","90","","91.156","0.008","90","","839.7","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0756","0.0454","","","0.1237","0.1522","","","","","","0.887","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220939","3.9291","0.0018","13.739","0.006","15.443","0.007","90","","94.454","0.007","90","","831.1","0.6","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0707","0.0438","","","0.1078","0.1216","","","","","","0.919","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220940","3.908","0.002","13.78","0.01","15.42","0.01","90","","95.31","0.006","90","","826.8","0.9","236","2","236","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0711","0.0446","","","0.1147","0.1255","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220941","3.8968","0.0018","13.781","0.007","15.419","0.007","90","","95.382","0.006","90","","824.4","0.7","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0653","0.045","","","0.1247","0.1396","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220942","3.88","0.002","13.786","0.007","15.404","0.009","90","","95.639","0.007","90","","820","0.8","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0615","0.0417","","","0.1074","0.1172","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220943","3.876","0.0018","13.791","0.006","15.388","0.007","90","","95.882","0.006","90","","818.2","0.6","198","","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0576","0.0384","","","0.0947","0.1026","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220944","3.8537","0.0015","13.804","0.005","15.381","0.006","90","","96.164","0.006","90","","813.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0554","0.0404","","","0.1064","0.1155","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220945","3.8278","0.0018","13.813","0.006","15.364","0.008","90","","96.512","0.007","90","","807.1","0.7","128","","128","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0457","0.0347","","","0.0856","0.0902","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220946","3.8139","0.001","13.823","0.004","15.349","0.004","90","","96.777","0.004","90","","803.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0402","0.0331","","","0.0882","0.0915","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220947","8.593","0.002","12.641","0.003","15.263","0.004","90","","97.065","0.004","90","","1645.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0587","0.0354","","","0.067","0.0729","","","","","","0.879","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220948","8.608","0.002","12.658","0.003","15.282","0.004","90","","97.022","0.003","90","","1652.6","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0565","0.0405","","","0.0911","0.0985","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220949","8.623","0.004","12.646","0.005","15.305","0.006","90","","97.145","0.005","90","","1656","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0625","0.0448","","","0.0972","0.1054","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220950","8.665","0.003","12.666","0.004","15.316","0.005","90","","97.277","0.003","90","","1667.4","1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0692","0.0482","","","0.1049","0.115","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220951","8.691","0.003","12.673","0.004","15.336","0.005","90","","97.417","0.004","90","","1675","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0749","0.0503","","","0.1096","0.121","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220952","8.721","0.003","12.675","0.004","15.366","0.005","90","","97.58","0.004","90","","1683.7","1","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0837","0.0524","","","0.1096","0.1239","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220953","8.767","0.003","12.675","0.004","15.411","0.005","90","","97.912","0.005","90","","1696.2","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0985","0.0578","","","0.1265","0.1466","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220954","8.794","0.003","12.678","0.003","15.437","0.005","90","","98.052","0.004","90","","1704.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.1067","0.0594","","","0.1274","0.1483","","","","","","1.093","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220955","7.6803","0.0013","18.549","0.004","11.229","0.003","90","","92.711","0.015","90","","1597.9","0.6","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.065","","","","0.1694","","","","","","1.089","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220956","23.613","0.005","5.9425","0.001","22.998","0.005","90","","102.411","0.008","90","","3151.7","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0497","","","","0.1392","","","","","","1.052","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220957","4.832","0.008","26.06","0.04","12.243","0.015","90","","91.4","0.08","90","","1541","4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C76 H72 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0754","","","","0.2182","","","","","","1.005","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220958","46.128","0.012","6.2135","0.0014","20.163","0.005","90","","100.884","0.019","90","","5675","2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 -","- C34 H28 N6 -","- C272 H224 N48 -","8","1","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0744","","","","0.1771","","","","","","0.932","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220959","23.947","0.007","6.9011","0.0013","23.64","0.008","90","","104.564","0.011","90","","3781.2","1.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N6 -","- C50 H36 N6 -","- C200 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0619","","","","0.1712","","","","","","1.015","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220962","39.356","0.013","9.332","0.003","9.842","0.003","90","","101.864","0.004","90","","3537","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N6 O10 Zn2 -","- C24 H34 N6 O10 Zn2 -","- C96 H136 N24 O40 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0604","0.0554","","","0.1687","0.1747","","","","","","1.096","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220963","38.503","0.005","9.4511","0.0012","9.8023","0.0013","90","","100.578","0.002","90","","3506.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N8 O8 Zn2 -","- C22 H20 N8 O7.9998 Zn2 -","- C88 H80 N32 O31.9992 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0952","0.0618","","","0.2065","0.2442","","","","","","1.122","","","","has coordinates,has disorder","153106","2020-10-21","18:00:00",""
"7220964","38.028","0.01","9.647","0.003","9.871","0.003","90","","97.49","0.005","90","","3590.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N6 O8 Zn2 -","- C20 H22 N6 O8 Zn2 -","- C80 H88 N24 O32 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.1091","0.0845","","","0.2533","0.2759","","","","","","1.152","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220967","11.722","0.0004","15.365","0.0005","12.7229","0.001","90","","119.424","0.004","90","","1995.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0648","0.0463","","","0.107","0.1185","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220969","8.6985","0.0004","9.4824","0.0006","17.7549","0.001","80.703","0.005","77.485","0.005","65.302","0.005","1294.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O8 -","- C25 H27 Cd N5 O8 -","- C50 H54 Cd2 N10 O16 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0484","0.0374","","","0.073","0.0764","","","","","","1.031","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220970","10.1493","0.0005","11.1061","0.0007","12.8644","0.0006","109.643","0.005","101.237","0.004","94.591","0.005","1322.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O12 -","- C25 H29 Cu N3 O12 -","- C50 H58 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0734","0.0497","","","0.1017","0.1095","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220971","10.0801","0.0003","10.821","0.0005","13.4386","0.0006","95.194","0.004","92.144","0.003","92.391","0.003","1457.3","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cu N3 O12 -","- C27 H31 Cu N3 O12 -","- C54 H62 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.1","0.0892","","","0.2601","0.2718","","","","","","1.058","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221019","13.1304","0.0007","16.5224","0.0009","19.2845","0.001","83.67","0.003","82.84","0.003","70.242","0.003","3896.3","0.4","123","","123","","","","","","","","J.M.Klein","5","P -1","-P 1","2","","","","- C82 H85 Cd2 N13 O16 -","- C82 H85 Cd2 N13 O16 -","- C164 H170 Cd4 N26 O32 -","2","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.0586","0.054","","0.1228","0.1212","0.1228","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221020","15.0312","0.0009","25.4508","0.0011","21.7048","0.0012","90","","92.051","0.004","90","","8298","0.8","123","","123","","","","","","","","M.Klein","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 Cd2 Cl9 N13 O15 -","- C72 H63 Cd2 N13 O15 -","- C288 H252 Cd8 N52 O60 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1228","0.0814","","0.2753","0.2242","0.2753","","","","","","0.9871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221021","17.336","0.003","17.302","0.003","18.817","0.003","90","","97.458","0.007","90","","5596.4","1.6","123","","123","","","","","","","","Max Klein","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cd N8 O10 -","- C58 H66 Cd N8 O10 -","- C232 H264 Cd4 N32 O40 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.1359","0.0986","","0.3369","0.2752","0.3369","","","","","","0.9707","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221022","25.945","0.006","24.578","0.005","17.527","0.003","90","","91.069","0.009","90","","11175","4","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H103 Cd2 Cl9 N16 O16 -","- C105 H101 Cd2 Cl3 N16 O16 -","- C420 H404 Cd8 Cl12 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1419","0.134","","0.3513","0.3465","0.3513","","","","","","1.0024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221023","25.2624","0.0012","25.0809","0.0011","16.7959","0.0008","90","","92.522","0.003","90","","10631.6","0.9","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 Cd2 Cl3 N16 O17 -","- C108 H108 Cd2 N16 O16 -","- C432 H432 Cd8 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1279","0.1026","","0.3071","0.2838","0.3071","","","","","","0.9905","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221120","9.718","0.0005","10.2978","0.0005","12.2586","0.0005","89.871","0.004","80.34","0.004","74.104","0.004","1161.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C40 H34 Cl4 N10 O22 -","2","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1103","0.0973","","","0.2217","0.2281","","","","","","1.047","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221121","8.9344","0.0002","18.8814","0.0006","14.142","0.0004","90","","90.449","0.002","90","","2385.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C80 H68 Cl8 N20 O44 -","4","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1088","0.0711","","","0.1794","0.204","","","","","","1.066","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221122","32.842","0.007","8.4292","0.0017","17.392","0.004","90","","103.11","0.03","90","","4689.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C160 H136 Cl16 N40 O88 -","8","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.0813","0.0714","","","0.191","0.2012","","","","","","1.068","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221123","7.141","0.002","17.151","0.004","20.891","0.005","90","","99.18","0.03","90","","2525.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene acetonitrile monosolvate","","- C24 H13 N5 O4 S4 -","- C24 H13 N5 O4 S4 -","- C96 H52 N20 O16 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1038","0.0664","","","0.1564","0.1773","","","","","","1.096","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221124","7.3769","0.0011","9.3811","0.0009","18.9293","0.0019","81.218","0.007","88.805","0.01","75.958","0.01","1255.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate","","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C50 H25 Cl N8 O8 S8 -","2","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0762","0.0408","","","0.0921","0.1098","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221127","15.9432","0.0014","12.1351","0.0009","13.5738","0.0011","90","","104.572","0.007","90","","2541.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrathiafulvalene 9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid monohydrate","","- C23 H11 N5 O9 S4 -","- C23 H11 N5 O9 S4 -","- C92 H44 N20 O36 S16 -","4","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0647","0.0547","","","0.1448","0.1511","","","","","","1.064","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221128","10.0608","0.001","10.3528","0.0011","15.612","0.002","107.535","0.008","100.525","0.009","90.877","0.008","1520.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tris(Tetrathiafulvalene) bis(9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid) acetonitrile disolvate","","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","1","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0862","0.0569","","","0.1385","0.1567","","","","","","1.059","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221129","14.4612","0.0003","22.9608","0.0005","26.3393","0.0007","75.41","0.002","77.11","0.002","87.87","0.002","8248.7","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H344 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0993","0.0852","","","0.2198","0.2328","","","","","","1.021","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221130","12.7595","0.0006","18.6525","0.0012","20.5628","0.0012","94.553","0.005","100.514","0.004","106.892","0.005","4558.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C179 H188 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.2533","0.1607","","","0.3545","0.4141","","","","","","1.058","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221131","14.082","0.0002","19.2969","0.0004","30.278","0.0008","86.912","0.002","79.794","0.002","78.073","0.002","7921.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H180 Gd2 N4 O63 P2 S8 -","- C140 H116 Gd2 N4 O63 P2 S8 -","- C280 H232 Gd4 N8 O126 P4 S16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.1598","0.145","","","0.3709","0.3824","","","","","","1.002","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221132","19.6775","0.0018","7.2816","0.0009","6.0174","0.0006","90","","96.137","0.009","90","","857.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0734","0.0554","","","0.1322","0.1456","","","","","","1.005","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221135","9.671","0.0001","33.8375","0.0004","14.2619","0.0002","90","","93.22","0.001","90","","4659.73","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Br6 Cd3 N8 O1.5 -","- C36 H54 Br6 Cd3 N8 O1.5 -","- C144 H216 Br24 Cd12 N32 O6 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0467","0.0413","","","0.0976","0.1003","","","","","","1.147","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221136","13.149","0.005","14.006","0.005","15.694","0.006","87.296","0.007","66.076","0.007","81.938","0.006","2615.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Cl4 N11 O14 Zn2 -","- C42 H63 Cl4 N11 O14 Zn2 -","- C84 H126 Cl8 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1103","0.055","","","0.137","0.1651","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221137","13.253","0.004","14.04","0.005","15.795","0.005","87.47","0.006","65.997","0.006","82.199","0.006","2659.8","1.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C84 H134 Br2 Cl6 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1004","0.0554","","","0.1537","0.1823","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221138","10.0947","0.0003","18.4694","0.0005","26.2626","0.0007","90","","99.587","0.003","90","","4828.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl6 Hg3 N8 O2 -","- C36 H58 Cl6 Hg3 N8 O2 -","- C144 H232 Cl24 Hg12 N32 O8 -","4","0.5","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1349","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221139","9.641","0.0002","33.6643","0.0007","14.2372","0.0003","90","","92.897","0.002","90","","4614.88","0.17","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56.5 Br6 Hg3 N8 O1.25 -","- C36 H54 Br6 Hg3 N8 O1.25 -","- C144 H216 Br24 Hg12 N32 O5 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0542","0.0407","","","0.089","0.0954","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","171079","2020-10-21","18:00:00",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221150","14.521","0.003","7.7378","0.0015","15.997","0.003","90","","106.4","0.03","90","","1724.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O5 Zn -","- C16 H16 N4 O5 Zn -","- C64 H64 N16 O20 Zn4 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0535","0.0424","","","0.0988","0.1034","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221151","16.0364","0.0006","7.6528","0.0003","35.3947","0.0014","90","","99.7638","0.0013","90","","4280.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C166 H178 N38 O50 Zn8 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0852","0.0518","","","0.1497","0.1744","","","","","","1.022","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221152","16.9909","0.0015","7.6688","0.0007","16.0077","0.0015","90","","102.322","0.002","90","","2037.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.3 H29.45 N9.15 O10 Zn2 -","- C32.3 H29.45 N9.15 O10 Zn2 -","- C64.6 H58.9 N18.3 O20 Zn4 -","2","0.5","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.124","0.0851","","","0.2369","0.2651","","","","","","1.136","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221527","12.6305","0.0012","14.5753","0.0007","22.114","0.003","93.228","0.006","100.746","0.009","98.776","0.006","3937.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H0 Cl0 Cu3 N3 O21 P3 -","- C42 H24 Cu3 N3 O21 P3 -","- C84 H48 Cu6 N6 O42 P6 -","2","1","","Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing","A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature","CrystEngComm","2015","17","33","6314","","10.1039/C5CE00930H","","","1.54184","CuKα","","0.2527","0.1921","","","0.4431","0.491","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221528","9.3226","0.0009","12.5095","0.0012","18.7848","0.0018","90","","94.335","0.002","90","","2184.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br2 N6 O12 U2 -","- C46 H26 Br2 N6 O12 U2 -","- C92 H52 Br4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0269","0.0202","","","0.0417","0.0436","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221529","9.2926","0.0003","12.5893","0.0005","18.697","0.0007","90","","95.618","0.001","90","","2176.81","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 N6 O12 U2 -","- C46 H26 Cl2 N6 O12 U2 -","- C92 H52 Cl4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0297","0.0211","","","0.0405","0.0428","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221530","8.0743","0.0009","11.9715","0.0014","15.0411","0.0017","106.612","0.001","102.208","0.001","100.75","0.001","1313.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0823","0.046","","","0.1062","0.1217","","","","","","0.977","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221531","8.0819","0.0006","12.6732","0.001","13.3764","0.001","100.472","0.001","91.219","0.001","98.444","0.001","1331.01","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0744","0.0434","","","0.0783","0.0873","","","","","","1.029","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221532","10.534","0.0008","11.5475","0.0008","13.4109","0.001","68.203","0.001","77.871","0.001","87.132","0.001","1480.17","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0549","0.042","","","0.1037","0.1105","","","","","","1.069","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221533","7.9974","0.0013","12.0617","0.0019","14.965","0.002","106.548","0.002","101.601","0.002","101.362","0.002","1304.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0603","0.0473","","","0.116","0.1231","","","","","","1.02","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221534","9.314","0.004","10.897","0.005","14.017","0.006","67.557","0.006","77.931","0.007","85.379","0.007","1285.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0529","0.0333","","","0.0623","0.0681","","","","","","1.016","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","153129","2020-10-21","18:00:00",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221550","15.5721","0.0011","15.585","0.0011","15.7385","0.0011","66.294","0.001","86.318","0.001","67.269","0.001","3206.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co2 N8 O19 S4 -","- C64 H44 Co2 N8 O19 S4 -","- C128 H88 Co4 N16 O38 S8 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0871","0.0513","","","0.1528","0.182","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221566","10.7736","0.0002","15.2684","0.0003","18.6621","0.0003","90","","104.275","0.001","90","","2975.05","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C152 H120 Br8 O8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0408","0.0292","","","0.075","0.0801","","","","","","1.035","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221567","10.7837","0.0002","15.2773","0.0004","18.8871","0.0004","90","","104.273","0.001","90","","3015.52","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C152 H128 Br8 N8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.034","0.0272","","","0.0733","0.0782","","","","","","1.006","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221570","15.6058","0.0003","18.7804","0.0004","21.1189","0.0004","68.874","0.001","74.947","0.001","74.08","0.001","5462.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O -","- C25 H20 O -","- C300 H240 O12 -","12","6","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0873","0.0521","","","0.1254","0.1522","","","","","","1.005","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221571","11.328","0.005","5.042","0.002","15.578","0.007","90","","109.947","0.011","90","","836.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenyl-2-formylpyrrole","5-phenyl-1H-pyrrole-2-carbaldehyde","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0603","0.0443","","","0.1191","0.1279","","","","","","1.065","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221572","8.0139","0.0018","13.509","0.002","10.342","0.002","90","","102.552","0.009","90","","1092.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(3,5-dimethylphenyl)-2-formylpyrrole","5-(3,5-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1782","0.1218","","","0.2843","0.2996","","","","","","0.897","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221573","13.086","0.002","4.7468","0.0007","19.887","0.003","90","","105.901","0.009","90","","1188","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(3,5-bis(trifluoromethyl)phenyl)-2-formylpyrrole","5-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H7 F6 N O -","- C13 H7 F6 N O -","- C52 H28 F24 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0962","0.0446","","","0.0863","0.0972","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221574","8.6799","0.0013","9.8371","0.0013","12.608","0.002","72.477","0.007","70.308","0.005","65.232","0.004","904.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-(2,4,6-triisopropylphenyl)-2-formylpyrrole","5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde","","- C20 H27 N O -","- C20 H27 N O -","- C40 H54 N2 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1054","0.0498","","","0.1036","0.1169","","","","","","0.942","","","","has coordinates,has disorder","171085","2020-10-21","18:00:00",""
"7221575","7.9115","0.0007","23.9817","0.0018","11.4591","0.001","90","","96.844","0.003","90","","2158.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(2,6-dimethylphenyl)-2-formylpyrrole","5-(2,6-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1172","0.0521","","","0.0941","0.1098","","","","","","0.913","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221578","10.331","0.002","13.446","0.003","16.673","0.003","90","","110.858","0.009","90","","2164.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N5 O8 S -","- C17 H21 Cd N5 O8 S -","- C68 H84 Cd4 N20 O32 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.057","0.0507","","","0.1252","0.1296","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221579","6.941","0.002","24.44","0.008","13.04","0.004","90","","107.867","0.013","90","","2105.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 S -","- C18 H21 Cd N5 O7 S -","- C72 H84 Cd4 N20 O28 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.1384","0.0871","","","0.1871","0.2101","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221580","8.9864","0.0004","15.9532","0.0008","20.1727","0.001","90","","101.463","0.001","90","","2834.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N6 O9 S2 -","- C22 H24 Cd N6 O9 S2 -","- C88 H96 Cd4 N24 O36 S8 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0327","0.0267","","","0.0656","0.0693","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221581","12.7557","0.0005","15.4715","0.0005","22.2958","0.0008","90","","96.906","0.001","90","","4368.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cd N5 O6 S -","- C19 H21 Cd N5 O6 S -","- C152 H168 Cd8 N40 O48 S8 -","8","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0363","0.0298","","","0.0634","0.0663","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221590","13.916","0.0012","13.916","0.0012","21.142","0.004","90","","90","","90","","4094.3","0.9","100","1","100","1","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C38 H24 N2 O8 Si Zn2 -","- C37.9992 H23.9992 N2 O8 Si Zn2 -","- C75.9984 H47.9984 N4 O16 Si2 Zn4 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.0695","0.0628","","","0.1899","0.1944","","","","","","1.054","","","","has coordinates,has disorder","153109","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","171080","2020-10-21","18:00:00",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221595","11.4461","0.0014","11.5142","0.0014","27.13","0.004","102.158","0.008","94.726","0.008","91.906","0.007","3478.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O6 S -","- C42 H32 N2 O6 S -","- C168 H128 N8 O24 S4 -","4","2","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1721","0.054","","","0.1048","0.1394","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221607","8.7542","0.0008","16.4242","0.0015","15.9879","0.0015","90","","91.709","0.002","90","","2297.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O7 Zn -","- C23 H26 N4 O7 Zn -","- C92 H104 N16 O28 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.0606","0.0443","","","0.1123","0.1215","","","","","","1.091","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221608","8.485","0.005","14.529","0.009","14.073","0.008","90","","94.11","0.03","90","","1730.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.1826","0.0817","","","0.1894","0.2307","","","","","","0.98","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221612","15.1215","0.0013","10.2017","0.0009","22.1609","0.0019","90","","107.281","0.0018","90","","3264.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.087","0.0541","","","0.1262","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221613","15.3901","0.0012","9.9023","0.0008","21.9596","0.0017","90","","105.911","0.003","90","","3218.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.1057","0.0482","","","0.0963","0.1215","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221614","21.3597","0.0015","10.7751","0.0007","31.118","0.002","90","","92.635","0.002","90","","7154.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl N8 O17 Zn4 -","- C76 H59 Cl N8 O17 Zn4 -","- C304 H236 Cl4 N32 O68 Zn16 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0969","0.0523","","","0.1253","0.1534","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221615","11.0644","0.0005","28.5964","0.0013","10.4332","0.0005","90","","96.5018","0.0015","90","","3279.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N4 O9 -","- C36 H26 Cd2 N4 O9 -","- C144 H104 Cd8 N16 O36 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.059","0.0462","","","0.1148","0.1236","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221628","20.2355","0.0009","27.1206","0.0009","23.3255","0.0008","90","","109.709","0.004","90","","12051.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu6 Eu2 O42 S2 -","- C22 H12 Cu6 Eu2 O42 S2 -","- C176 H96 Cu48 Eu16 O336 S16 -","8","1","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54185","CuKα","","0.1647","0.1454","","","0.3517","0.3867","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221629","16.4455","0.0003","15.0098","0.0005","27.8995","0.0007","79.513","0.002","98.024","0.002","105.156","0.002","6505.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H34 Cu N4 O11 V2 -","- C10 H24 Cu N4 O11 V2 -","- C120 H288 Cu12 N48 O132 V24 -","12","6","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0656","0.0458","","","0.1012","0.1106","","","","","","1.038","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221630","8.0199","0.0002","13.9524","0.0006","14.2588","0.0005","102.032","0.003","101.742","0.003","97.56","0.003","1502.38","0.1","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H30 Cu N4 O9 V2 -","- C10 H24 Cu N4 O9 V2 -","- C30 H72 Cu3 N12 O27 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0338","0.0292","","","0.0743","0.0776","","","","","","1.051","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221631","8.6253","0.001","12.89","0.002","13.368","0.002","103.208","0.014","106.557","0.012","95.595","0.011","1365.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H26.67 Cu N4 O7.33 V2 -","- C10 H24 Cu N4 O7.33333 V2 -","- C30 H72 Cu3 N12 O22 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.1338","0.0886","","","0.1621","0.1828","","","","","","1.132","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221632","8.751","0.002","13.094","0.003","13.363","0.003","102.449","0.018","101.653","0.019","101.148","0.019","1418.8","0.6","393","2","393","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H24 Cu N4 O6 V2 -","- C10 H24 Cu N4 O6 V2 -","- C30 H72 Cu3 N12 O18 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.2426","0.1078","","","0.1866","0.2511","","","","","","1.058","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221636","17.3644","0.0008","16.2122","0.0008","16.2003","0.0008","90","","103.517","0.001","90","","4434.3","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 Pr2 S6 -","- C82 H62 N16 O29 Pr2 S6 -","- C164 H124 N32 O58 Pr4 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0551","0.0393","","","0.0865","0.093","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221637","17.3435","0.0016","16.1923","0.0016","16.0934","0.0014","90","","103.429","0.002","90","","4396","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Sm2 -","- C82 H62 N16 O29 S6 Sm2 -","- C164 H124 N32 O58 S12 Sm4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1014","0.0552","","","0.0968","0.1134","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221638","17.3174","0.0017","16.1834","0.0016","16.066","0.0014","90","","103.431","0.002","90","","4379.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Eu2 N16 O29 S6 -","- C82 H62 Eu2 N16 O29 S6 -","- C164 H124 Eu4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1126","0.0571","","","0.1033","0.1233","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221639","17.2968","0.0015","16.1959","0.0014","16.028","0.0014","90","","103.363","0.002","90","","4368.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Gd2 N16 O29 S6 -","- C82 H62 Gd2 N16 O29 S6 -","- C164 H124 Gd4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0797","0.0475","","","0.0875","0.0996","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221640","17.2852","0.0019","16.1853","0.0017","15.9746","0.0017","90","","103.335","0.002","90","","4348.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Dy2 N16 O29 S6 -","- C82 H62 Dy2 N16 O29 S6 -","- C164 H124 Dy4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0574","0.0387","","","0.0814","0.0889","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221641","17.2839","0.0008","16.1782","0.0006","16.0035","0.0006","90","","103.316","0.001","90","","4354.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Tb2 -","- C82 H62 N16 O29 S6 Tb2 -","- C164 H124 N32 O58 S12 Tb4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.06","0.0375","","","0.0769","0.0859","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221644","30.19","0.005","19.637","0.003","16.038","0.003","90","","108.829","0.003","90","","8999","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H199 Co3 N13 O71 -","- C64 H50 Co3 N4 O19 -","- C256 H200 Co12 N16 O76 -","4","0.5","","Li, Jian-Ping; Ma, Yu-Qin; Geng, Li-Hua; Li, Yun-Hui; Yi, Fei-Yan","A highly stable porous multifunctional Co(ii) metal‒organic framework showing excellent gas storage applications and interesting magnetic properties","CrystEngComm","2015","17","34","6471","","10.1039/C5CE01123J","","","0.71073","MoKα","","0.1405","0.0896","","","0.2452","0.2841","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221646","10.214","0.003","14.064","0.003","14.282","0.004","75.127","0.011","87.917","0.012","79.52","0.013","1949.7","0.9","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.71075","MoKα","","0.1847","0.1064","","","0.2782","0.3529","","","","","","1.035","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221647","10.1283","0.0014","13.8996","0.0013","14.2922","0.0018","74.962","0.008","87.263","0.009","79.42","0.008","1910.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0657","0.0533","","","0.1741","0.19","","","","","","1.058","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221648","10.406","0.01","14.261","0.013","14.52","0.015","74.7","0.03","88.45","0.04","79.38","0.04","2042","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.1579","0.1069","","","0.2891","0.353","","","","","","1.041","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221649","10.0773","0.0017","13.935","0.002","14.259","0.002","74.988","0.005","86.579","0.006","79.096","0.006","1899","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H28 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0848","0.0543","","","0.1306","0.1577","","","","","","1.008","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221656","9.2206","0.0018","14.881","0.003","15.697","0.003","115.13","0.03","92.57","0.03","99.02","0.03","1910.8","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Co2 N8 O8 -","- C40 H36 Co2 N8 O8 -","- C80 H72 Co4 N16 O16 -","2","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0856","0.052","","","0.1017","0.1159","","","","","","1.006","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221657","26.01","0.011","10.83","0.005","15.972","0.007","90","","90.758","0.007","90","","4499","3","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Cu2 N8 O16 -","- C40 H52 Cu2 N8 O16 -","- C160 H208 Cu8 N32 O64 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.058","0.0396","","","0.1037","0.1122","","","","","","1.032","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221658","24.081","0.008","6.4039","0.0008","16.283","0.004","90","","121.64","0.04","90","","2137.8","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Ag N4 O6 -","- C20 H23 Ag N4 O6 -","- C80 H92 Ag4 N16 O24 -","4","0.5","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0976","0.0655","","","0.1829","0.2105","","","","","","1.092","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221659","13.2788","0.0002","8.3693","0.0001","16.8959","0.0004","90","","102.025","0.002","90","","1836.51","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0426","0.0349","","","0.0844","0.0887","","","","","","1.003","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221661","14.897","0.008","10.377","0.006","8.216","0.005","90","","90.647","0.008","90","","1270","1.3","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cl2 Hg N2 O2 -","- C10 H10 Cl2 Hg N2 O2 -","- C40 H40 Cl8 Hg4 N8 O8 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0268","0.0221","","","0.0654","0.0676","","","","","","1.043","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221673","17.097","0.015","8.764","0.007","17.682","0.016","90","","117.686","0.009","90","","2346","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.163","0.0848","","","0.1616","0.195","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221674","17.149","0.014","8.78","0.007","17.692","0.014","90","","117.636","0.008","90","","2360","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.1784","0.088","","","0.1776","0.2169","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221680","9.2264","0.0007","31.583","0.003","13.1257","0.001","90","","105.764","0.003","90","","3680.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl6 N16 O21 -","- C60 H66 Cl6 N16 O21 -","- C120 H132 Cl12 N32 O42 -","2","0.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","0.71073","MoKα","","0.084","0.0798","","0.0815","0.0747","0.0721","","","","","","1.0484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221681","10.7229","0.0001","34.3062","0.0004","15.2099","0.0002","90","","114.8","0.001","90","","5079.15","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl4 N7 O15 -","- C46 H49 Cl4 N7 O15 -","- C184 H196 Cl16 N28 O60 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0747","0.0716","","0.0873","0.0864","0.0861","","","","","","0.9676","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221682","13.3011","0.0004","24.6348","0.0006","7.1285","0.0002","90","","96.565","0.003","90","","2320.48","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N6 O13 -","- C19 H26 N6 O13 -","- C76 H104 N24 O52 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0373","0.0358","","0.0426","0.0417","0.0413","","","","","","1.0385","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221683","38.2977","0.0005","38.2977","0.0005","22.9827","0.0004","90","","90","","90","","33709","0.9","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C29 H38 N4 O17 -","- C29 H28 N4 O12 -","- C1160 H1120 N160 O480 -","40","2.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0803","0.0743","","0.0838","0.0811","0.0803","","","","","","1.0691","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221684","10.3014","0.0006","12.5123","0.0008","17.7504","0.001","94.575","0.005","97.802","0.005","104.605","0.005","2177.9","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 N5 O17 -","- C44 H45 N5 O17 -","- C88 H90 N10 O34 -","2","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0994","0.0799","","0.1044","0.0927","0.0912","","","","","","1.1182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221696","9.2565","0.0014","10.1736","0.0015","15.405","0.002","95.282","0.003","105.188","0.002","91.394","0.002","1392.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0443","0.0327","","","0.0791","0.0829","","","","","","1.002","","","","has coordinates,has disorder","173739","2020-10-21","18:00:00",""
"7221697","9.196","0.006","10.084","0.006","15.198","0.009","73.07","0.012","88.636","0.012","89.664","0.012","1347.9","1.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0963","0.056","","","0.1292","0.1425","","","","","","1.001","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221699","9.247","0.004","9.97","0.005","15.025","0.008","100.151","0.009","91.372","0.009","91.776","0.009","1362.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0998","0.0483","","","0.072","0.0802","","","","","","1.002","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221715","12.5772","0.0015","13.5174","0.0019","13.8758","0.0014","88.395","0.01","88.618","0.009","89.946","0.01","2357.4","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 Co N11 O6 -","- C48 H51 Co N11 O6 -","- C96 H102 Co2 N22 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0723","0.0525","","","0.1216","0.1349","","","","","","1.022","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221716","12.582","0.0005","13.4972","0.0007","13.9527","0.0005","88.824","0.004","88.632","0.003","89.748","0.004","2368.28","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N11 Ni O6 -","- C48 H51 N11 Ni O6 -","- C96 H102 N22 Ni2 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0567","0.0426","","","0.1003","0.109","","","","","","1.031","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221717","10.5901","0.0009","12.6454","0.001","14.7745","0.0012","72.448","0.007","82.861","0.007","88.524","0.007","1871.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Cu N7 O6 -","- C40 H39 Cu N7 O6 -","- C80 H78 Cu2 N14 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0503","0.0381","","","0.0847","0.0917","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221718","23.5066","0.0006","12.391","0.0003","29.062","0.002","90","","109.306","0.008","90","","7988.9","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl2 Co4 N12 O22 -","- C78 H78 Cl2 Co4 N12 O22 -","- C312 H312 Cl8 Co16 N48 O88 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0995","0.069","","","0.1874","0.209","","","","","","1.028","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221721","12.6956","0.0004","14.4449","0.0004","22.4981","0.0007","77.797","0.002","79.842","0.002","72.698","0.003","3821.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Co N8 O8 -","- C42 H39 Co N8 O8 -","- C168 H156 Co4 N32 O32 -","4","2","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.145","0.0746","","","0.1315","0.1562","","","","","","1.023","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221723","23.7809","0.0003","19.3947","0.0003","21.4148","0.0002","90","","97.9199","0.0012","90","","9782.8","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H102 Cl2 Cu4 N12 O28 -","- C84 H102 Cl2 Cu4 N12 O28 -","- C336 H408 Cl8 Cu16 N48 O112 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0779","0.0545","","","0.1529","0.1682","","","","","","1.075","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221724","11.7862","0.0005","21.7148","0.0008","16.764","0.0006","90","","101.32","0.004","90","","4207","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Co4 N2 O14 -","- C36 H50 Cl2 Co4 N2 O14 -","- C144 H200 Cl8 Co16 N8 O56 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0517","0.0372","","","0.085","0.0938","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221734","17.6278","0.0007","8.6461","0.0004","21.0723","0.0008","90","","105.829","0.0019","90","","3089.9","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O2 -","- C34 H30 N6 O2 -","- C136 H120 N24 O8 -","4","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.2845","0.1116","","","0.1468","0.209","","","","","","1.212","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221735","7.47796","0.00015","8.7915","0.00016","10.00729","0.00018","67.6476","0.001","72.0277","0.001","80.1605","0.001","577.708","0.019","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0565","","","","0.1959","","","","","","1.061","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221736","8.7038","0.0004","9.2191","0.0004","10.0892","0.0005","110.554","0.003","110.343","0.002","97.368","0.003","681.26","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.3279","0.0987","","","0.2117","0.3459","","","","","","0.879","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221737","8.572","0.0003","9.4914","0.0003","10.6283","0.0003","115.267","0.0012","98.1638","0.0014","102.707","0.0014","735.06","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0619","","","","0.2556","","","","","","1.134","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221738","8.4017","0.0002","10.0488","0.0003","10.0892","0.0003","95.1228","0.0012","102.045","0.0013","108.349","0.0012","779.59","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0566","","","","0.1945","","","","","","1.11","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221739","8.6252","0.0003","10.9509","0.0005","11.562","0.0007","94.067","0.004","93.088","0.004","112.605","0.004","1001.73","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.0652","0.0523","","","0.1508","0.1656","","","","","","1.036","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221744","5.6561","0.0006","11.4126","0.0012","12.2064","0.0012","116.614","0.001","91.131","0.002","104.114","0.002","675.58","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl I N4 O2 S -","- C10 H11 Cl I N4 O2 S -","- C20 H22 Cl2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0708","0.0479","","","0.1082","0.1199","","","","","","1.035","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221745","5.7185","0.0003","11.644","0.0006","12.3493","0.0006","116.697","0.0006","91.7117","0.0006","104.17","0.0007","702.94","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Br I N4 O2 S -","- C10 H11 Br I N4 O2 S -","- C20 H22 Br2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0555","0.039","","","0.0892","0.0965","","","","","","0.983","","","","has coordinates,has disorder","171030","2020-10-21","18:00:00",""
"7221746","5.7078","0.0005","11.5383","0.001","12.198","0.001","62.864","0.001","79.418","0.0012","76.98","0.0012","693.5","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Br N4 O3 S -","- C11 H14 Br N4 O3 S -","- C22 H28 Br2 N8 O6 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0399","0.0357","","","0.0822","0.0848","","","","","","1.053","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221747","5.709","0.003","11.532","0.006","12.116","0.006","62.675","0.008","79.693","0.009","77.507","0.009","689","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","1","0.5","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.082","0.0551","","","0.1073","0.1182","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221748","5.7879","0.0014","11.983","0.003","12.568","0.003","61.725","0.003","87.456","0.002","76.227","0.002","743.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I2 N4 O2 S -","- C10 H11 I2 N4 O2 S -","- C20 H22 I4 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.065","0.0428","","","0.0873","0.0969","","","","","","1.028","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221749","8.0577","0.0009","10.8694","0.0012","11.7471","0.0013","84.291","0.002","74.23","0.002","85.792","0.002","984.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 I3 N4 O4 S -","- C12 H17 I3 N4 O4 S -","- C24 H34 I6 N8 O8 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.036","0.0312","","","0.0754","0.0788","","","","","","1.025","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221750","8.004","0.002","11.247","0.003","11.473","0.003","83.925","0.004","89.442","0.004","72.371","0.004","978.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I5 N4 O2 S -","- C10 H11 I5 N4 O2 S -","- C20 H22 I10 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0633","0.0475","","","0.1162","0.1252","","","","","","1.07","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7221761","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221763","6.4176","0.0007","7.1023","0.0009","7.537","0.001","94.502","0.008","100.535","0.007","115.558","0.006","299.86","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-bromo-5-methylisoxazol-3-amine","4-bromo-5-methylisoxazol-3-amine","","- C4 H5 Br N2 O -","- C4 H5 Br N2 O -","- C8 H10 Br2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0331","0.0236","","","0.0575","0.061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221777","45.2139","0.0005","20.4624","0.0002","28.0974","0.0003","90","","100.59","0.0012","90","","25552.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C928 H1040 Cl12 Dy16 F192 N76 O144 -","8","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0742","0.0593","","","0.1665","0.1802","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221778","12.1694","0.0004","19.7909","0.0005","21.6427","0.0006","66.933","0.003","75.128","0.003","87.379","0.002","4626.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C190 H145 Dy4 F36 N15 O28 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0432","0.0338","","","0.0849","0.0906","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221779","8.2376","0.0006","8.5362","0.0007","10.4219","0.0009","94.615","0.007","98.69","0.007","99.967","0.007","709.21","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0739","0.0476","","","0.1089","0.1295","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221785","8.2085","0.0012","9.8703","0.0014","17.3769","0.0019","83.411","0.01","82.267","0.01","73.463","0.013","1333","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu2 N4 O8 S2 -","- C26 H24 Cu2 N4 O8 S2 -","- C52 H48 Cu4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1579","0.0939","","","0.1892","0.2334","","","","","","1.033","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221786","8.2505","0.0008","10.2487","0.0011","16.795","0.002","86.545","0.006","86.59","0.006","75.057","0.005","1368.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 N4 O8 S2 -","- C26 H24 Ag2 N4 O8 S2 -","- C52 H48 Ag4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.0448","0.0327","","","0.0708","0.0774","","","","","","0.999","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221787","10.645","0.002","15.367","0.003","19.59","0.004","80.844","0.01","83.69","0.011","85.182","0.01","3137.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu4 N16 O18 S4 -","- C52 H40 Cu4 N16 O18 S4 -","- C104 H80 Cu8 N32 O36 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.119","0.0588","","","0.1407","0.1691","","","","","","1.021","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221788","7.0225","0.0007","13.2448","0.0014","19.1007","0.0018","71.555","0.004","79.412","0.002","74.632","0.002","1615.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Ag2 N8 O10 S2 -","- C26 H28 Ag2 N8 O10 S2 -","- C52 H56 Ag4 N16 O20 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.2282","0.0585","","","0.0638","0.0888","","","","","","0.973","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221790","14.5639","0.0006","14.7235","0.0006","19.5511","0.0008","72.143","0.002","70.919","0.002","77.78","0.002","3742.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Ag4 N8 O21 S4 -","- C64 H82 Ag4 N8 O21 S4 -","- C128 H164 Ag8 N16 O42 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1918","0.0589","","","0.1131","0.1507","","","","","","0.952","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221791","8.658","0.0006","10.2661","0.0007","13.9044","0.0009","76.212","0.001","72.962","0.001","72.097","0.001","1109.39","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl0 Co N10 O14 -","- C50 H36 Co N10 O14 -","- C50 H36 Co N10 O14 -","1","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0411","0.0342","","","0.0957","0.1007","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221792","7.2427","0.0004","25.0077","0.0014","15.4019","0.0008","90","","99.477","0.001","90","","2751.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl0 Co N5 O13 -","- C26 H23 Co N5 O13 -","- C104 H92 Co4 N20 O52 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0749","0.0559","","","0.1495","0.1631","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221793","10.0924","0.0006","11.0595","0.0007","13.9619","0.0008","66.831","0.001","83.421","0.001","71.279","0.001","1356.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl0 Co N4 O11 -","- C26 H26 Co N4 O11 -","- C52 H52 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0615","0.0412","","","0.0976","0.1072","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221794","10.0129","0.0019","10.724","0.002","13.961","0.003","73.385","0.003","73.609","0.004","64.888","0.003","1278.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl0 Co N4 O11 -","- C26 H24 Co N4 O11 -","- C52 H48 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0872","0.0685","","","0.1969","0.2136","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221795","9.9555","0.0006","16.481","0.001","16.1393","0.001","90","","100.673","0.001","90","","2602.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl0 Co N4 O9 -","- C27 H22 Co N4 O9 -","- C108 H88 Co4 N16 O36 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.055","0.0385","","","0.0986","0.1077","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221797","14.5284","0.0019","15.754","0.002","16.91","0.002","90","","93.141","0.002","90","","3864.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N8 O44 Si W12 -","- C52 H52 N8 O44 Si W12 -","- C104 H104 N16 O88 Si2 W24 -","2","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0802","0.0544","","","0.1148","0.1299","","","","","","1.043","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221798","21.61","0.003","21.283","0.003","16.8259","0.0019","90","","99.207","0.002","90","","7639","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Al Co N8 O43 W12 -","- C52 H38 Al Co N8 O43 W12 -","- C208 H152 Al4 Co4 N32 O172 W48 -","4","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0913","0.073","","","0.167","0.1759","","","","","","1.069","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221802","8.8946","0.0004","19.9678","0.001","18.779","0.0008","90","","98.166","0.005","90","","3301.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Heptaaqua-scandium(iii) tris(bis(trifluoromethylsulfonyl)imide) hydrate","","- C6 H16 F18 N3 O20 S6 Sc -","- C6 H16 F18 N3 O20 S6 Sc -","- C24 H64 F72 N12 O80 S24 Sc4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0402","0.0318","","","0.0695","0.0736","","","","","","1.046","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221803","12.9489","0.0003","18.4605","0.0005","12.9858","0.0003","90","","94.507","0.002","90","","3094.57","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)","","- C6 H10 F18 N3 O17 S6 Sm -","- C6 H10 F18 N3 O17 S6 Sm -","- C24 H40 F72 N12 O68 S24 Sm4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0265","0.0222","","","0.0503","0.0527","","","","","","1.038","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221805","12.8735","0.0006","18.3588","0.0009","12.9082","0.0006","90","","94.119","0.004","90","","3042.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-dysprosium(iii)","","- C6 H10 Dy F18 N3 O17 S6 -","- C6 H10 Dy F18 N3 O17 S6 -","- C24 H40 Dy4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0267","0.0222","","","0.0485","0.051","","","","","","1.041","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221807","12.9085","0.0003","18.369","0.0004","12.9307","0.0003","90","","94.275","0.002","90","","3057.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-terbium(iii)","","- C6 H10 F18 N3 O17 S6 Tb -","- C6 H10 F18 N3 O17 S6 Tb -","- C24 H40 F72 N12 O68 S24 Tb4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0246","0.02","","","0.0436","0.0454","","","","","","1.017","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221808","12.8788","0.0004","18.2797","0.0007","12.8814","0.0005","90","","94.524","0.003","90","","3023.1","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)","","- C6 H10 Er F18 N3 O17 S6 -","- C6 H10 Er F18 N3 O17 S6 -","- C24 H40 Er4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0209","0.0173","","","0.0397","0.0411","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221817","7.4378","0.0004","8.9941","0.0004","9.8914","0.0005","75.2719","0.0017","72.7974","0.0017","82.7345","0.0017","610.39","0.05","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate","","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0463","0.0343","","","0.0736","0.0777","","","","","","1.04","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221818","8.0578","0.0006","8.3568","0.0006","10.1944","0.0006","79.288","0.005","69.725","0.006","82.953","0.006","631.44","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","di(N-4-pyridylnicotinamide)copper(II)acetate","","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","","0.71073","MoKα","","0.0403","0.0348","","","0.0768","0.081","","","","","","1.08","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221819","7.3668","0.0005","9.1365","0.0006","9.9565","0.0006","76.1428","0.0018","73.5323","0.0018","83.61","0.002","623.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)cadmium(II)nitrate","","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0595","0.0592","","","0.1492","0.1497","","","","","","1.072","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221820","16.3055","0.0003","22.8004","0.0004","15.2496","0.0003","90","","97.353","0.002","90","","5622.75","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquadi(N-4-pyridylnicotinamide)cadmium(II)acetate dihydrate","","- C26 H30 Cd N6 O9 -","- C26 H30 Cd N6 O9 -","- C208 H240 Cd8 N48 O72 -","8","2","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.057","0.0329","","","0.0608","0.0675","","","","","","1.023","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221826","16.9149","0.0012","9.1324","0.0009","18.185","0.002","90","","92.98","0.01","90","","2805.3","0.5","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu Mn N2 O10 S4 -","- C36 H54 Cu2 Mn2 N4 O20 S8 -","- C72 H108 Cu4 Mn4 N8 O40 S16 -","2","0.5","","Kalisz, Marguerite; Cassaro, Rafael A. A.; Novak, Miguel A.; Andruh, Marius; Amorim, Helio S.; Vaz, Maria G. F.","A two-dimensional CuII‒MnIIheterometallic coordination polymer: structure determination using synchrotron X-ray powder diffraction and magnetic properties","CrystEngComm","2015","17","38","7423","","10.1039/C5CE01537E","powder diffraction","","","Synchrotron","","","","","","","","","6.6713","","","","","","","","has coordinates","171010","2020-10-21","18:00:00",""
"7221827","20.765","0.002","9.4741","0.0005","14.1307","0.0013","90","","101.612","0.008","90","","2723","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyt:phen","Cytosine:1,-10-phenanthroline","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1033","0.0644","","","0.1524","0.1684","","","","","","0.865","","","","has coordinates","171068","2020-10-21","18:00:00",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221845","5.8941","0.0005","7.5206","0.0008","15.7272","0.001","103.039","0.008","96.056","0.006","94.487","0.007","671.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0569","0.0341","","","0.0691","0.0709","","","","","","0.987","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221846","6.051","0.0003","7.5054","0.0004","15.6246","0.0014","102.512","0.006","96.5","0.006","94.693","0.005","684.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0754","0.0485","","","0.1011","0.104","","","","","","0.993","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221847","11.183","0.0003","29.7328","0.0007","17.7124","0.0005","90","","98.941","0.003","90","","5817.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.6 H58.4 Cu N10 O6.6 -","- C64.6 H57.8 Cu N10 O6.6 -","- C258.4 H231.2 Cu4 N40 O26.4 -","4","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0853","0.0667","","","0.1961","0.2058","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221848","11.534","0.001","15.8814","0.0008","16.7622","0.0014","71.888","0.006","87.185","0.007","87.131","0.006","2912.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl2 Cu N8 O9 -","- C64 H56 Cl2 Cu N8 O9 -","- C128 H112 Cl4 Cu2 N16 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0981","0.0504","","","0.1012","0.1103","","","","","","0.974","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221849","11.64037","0.00019","15.846","0.0004","17.0057","0.0003","70.7034","0.0019","86.7179","0.0016","88.1588","0.0016","2955.39","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl2 Cu N9 O9 -","- C66 H59 Cl2 Cu N9 O9 -","- C132 H118 Cl4 Cu2 N18 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0496","0.035","","","0.0921","0.0951","","","","","","1.068","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221851","11.0254","0.0004","22.5624","0.0006","14.028","0.0005","90","","93.327","0.003","90","","3483.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C136 H140 Cl3 Cu4 N17 O22 -","2","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0737","0.0584","","","0.1772","0.1846","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221853","16.2205","0.0007","17.8175","0.0006","26.7171","0.0006","73.031","0.003","84.929","0.003","68.555","0.004","6872.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37.2 Cl2 Cu N6 O0.6 -","- C45 H36 Cl2 Cu N6 O0.6 -","- C270 H216 Cl12 Cu6 N36 O3.6 -","6","3","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0655","0.0475","","","0.1425","0.1483","","","","","","0.952","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221863","9.7805","0.0007","7.2405","0.0005","10.0361","0.0007","90","","108.917","0.002","90","","672.33","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F13 O5 Sr4 V3 -","- F13 O5 Sr4 V3 -","- F26 O10 Sr8 V6 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0398","0.0298","","","0.0576","0.0606","","","","","","1.03","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221864","10.1963","0.0007","7.3172","0.0005","13.9271","0.001","90","","99.057","0.002","90","","1026.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F18 O8 Pb7 V4 -","- F18 O8 Pb7 V4 -","- F36 O16 Pb14 V8 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0368","0.0306","","","0.0678","0.0703","","","","","","1.101","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221865","5.6675","0.0005","7.3492","0.0006","8.3152","0.0007","101.234","0.0012","108.995","0.0013","110.625","0.0012","287.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 O2 Pb2 V -","- F5 O2 Pb2 V -","- F10 O4 Pb4 V2 -","2","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0322","0.0305","","","0.0765","0.0771","","","","","","1.27","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221866","5.6675","0.0004","15.7931","0.0012","12.9995","0.0009","90","","92.019","0.002","90","","1162.83","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F6 O Pb2 V -","- F6 O Pb2 V -","- F48 O8 Pb16 V8 -","8","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0293","0.026","","","0.0564","0.0577","","","","","","1.096","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221896","31.831","0.006","7.884","0.002","19.449","0.004","90","","107.912","0.007","90","","4644.3","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}","","- C38 H46 Cd2 N4 O13 S5 -","- C38 H40 Cd2 N4 O13 S5 -","- C152 H160 Cd8 N16 O52 S20 -","4","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1353","0.0695","","","0.1281","0.1455","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221897","10.7515","0.0007","10.7424","0.0007","11.0098","0.0008","95.683","0.002","96.94","0.002","96.596","0.002","1245.68","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO,O':kO'':kO'',O''')bis(dimethylformamide)tricadmium(II)]}","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.0193","0.0176","","","0.0425","0.0433","","","","","","1.068","","","","has coordinates","171088","2020-10-21","18:00:00",""
"7221898","6.981","0.001","26.778","0.004","13.66","0.002","90","","98.15","0.005","90","","2527.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Poly{[(mu3-4,4'-azobenzenedicarboxylate-kO:kO':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)zinc(II)]}","","- C20 H12 N5 O4 Zn -","- C20 H12 N5 O4 Zn -","- C80 H48 N20 O16 Zn4 -","4","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1002","0.0612","","","0.1436","0.156","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221899","16.945","0.005","16.958","0.005","17.88","0.005","83.348","0.007","73.542","0.007","65.791","0.007","4494","2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}","","- C60 H36 N14.5 O12 Zn3 -","- C60 H36 N14.5 O12 Zn3 -","- C120 H72 N29 O24 Zn6 -","2","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.147","0.0916","","","0.2381","0.2653","","","","","","0.888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221912","15.5127","0.0013","8.2524","0.0005","17.957","0.002","90","","122.004","0.006","90","","1949.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0686","0.0402","","","0.0863","0.0951","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221913","15.518","0.0014","8.2664","0.0005","17.978","0.002","90","","121.982","0.007","90","","1956.1","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0738","0.0397","","","0.0818","0.0927","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221914","15.5225","0.0014","8.2788","0.0005","17.997","0.002","90","","121.964","0.007","90","","1962.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0786","0.0405","","","0.0814","0.0924","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221915","15.5304","0.0015","8.2953","0.0006","18.026","0.002","90","","121.942","0.008","90","","1970.6","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0868","0.0411","","","0.082","0.0956","","","","","","0.921","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221916","15.5367","0.0016","8.3081","0.0006","18.051","0.002","90","","121.906","0.008","90","","1978","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0926","0.0427","","","0.0815","0.0947","","","","","","0.888","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221917","15.5427","0.0016","8.3248","0.0006","18.084","0.002","90","","121.851","0.008","90","","1987.6","0.4","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1012","0.0427","","","0.0826","0.0983","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221918","15.5486","0.0017","8.337","0.0007","18.116","0.003","90","","121.807","0.008","90","","1995.7","0.5","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.111","0.0431","","","0.0829","0.1008","","","","","","0.863","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221919","15.5533","0.0018","8.3475","0.0007","18.151","0.003","90","","121.742","0.009","90","","2004.1","0.5","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1222","0.0449","","","0.0877","0.1081","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","171094","2020-10-21","18:00:00",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221949","33.842","0.003","8.1803","0.0009","15.5183","0.0015","90","","111.285","0.011","90","","4003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1157","0.0704","","","0.1893","0.2301","","","","","","1.025","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221950","33.698","0.002","8.1286","0.0006","15.4818","0.0009","90","","111.393","0.007","90","","3948.6","0.5","250","1","250","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.085","0.0556","","","0.1533","0.1709","","","","","","1.108","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221951","8.291","0.005","15.44","0.005","16.932","0.005","67.702","0.005","77.616","0.005","89.556","0.005","1952.3","1.5","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1351","0.0994","","","0.2773","0.3061","","","","","","1.055","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221952","8.1589","0.001","15.3909","0.0013","16.8655","0.0018","67.525","0.009","78.145","0.01","89.508","0.009","1909.5","0.4","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1232","0.0997","","","0.2765","0.2935","","","","","","1.052","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221954","15.228","0.0008","14.2504","0.0008","11.8362","0.0006","90","","110.265","0.001","90","","2409.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0424","0.0355","","","0.0926","0.098","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221955","12.7933","0.0006","13.4321","0.0007","15.0676","0.0008","107.118","0.001","91.053","0.001","93.358","0.001","2468.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","2","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0772","0.062","","","0.1591","0.1694","","","","","","1.021","","","","has coordinates,has disorder","171027","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221957","29.902","0.004","7.6059","0.0011","28.606","0.005","90","","110.776","0.003","90","","6082.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B F4 Fe2 N O -","- C34 H32 B F4 Fe2 N O -","- C272 H256 B8 F32 Fe16 N8 O8 -","8","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0923","0.0663","","","0.162","0.1765","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221973","7.6584","0.0007","10.2121","0.0008","13.1295","0.0011","108.228","0.006","97.789","0.007","92.502","0.007","962.26","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O S -","- C21 H28 N2 O S -","- C42 H56 N4 O2 S2 -","2","1","","Saeed, Aamer; Bolte, Michael; Erben, Mauricio F.; Pérez, Hiram","Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis","CrystEngComm","2015","17","39","7551","","10.1039/C5CE01373A","","","0.71073","MoKα","","0.0434","0.0409","","","0.1064","0.1084","","","","","","1.054","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221991","26.0119","0.0001","26.0119","0.0001","26.0119","0.0001","90","","90","","90","","17600.1","0.12","293","2","293","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C162 H98 O58 Zn9 -","- C162 H71.4 O58 Zn9 -","- C648 H285.6 O232 Zn36 -","4","0.166667","","Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang","Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas","CrystEngComm","2015","17","43","8221","","10.1039/C5CE01320H","","","1.54178","CuKα","","0.1165","0.076","","","0.2333","0.2652","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221992","15.103","0.0007","3.913","0.0003","23.4694","0.0012","90","","101.363","0.009","90","","1359.81","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0339","0.0333","","","0.091","0.092","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221993","15.7972","0.0007","9.2961","0.0004","21.2681","0.001","90","","106.516","0.002","90","","2994.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride hemihydrate","","- C30 H26 Cl2 N10 O5 -","- C30 H26 Cl2 N10 O5 -","- C120 H104 Cl8 N40 O20 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0459","0.0452","","","0.1265","0.1271","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221994","7.6745","0.0005","12.8403","0.0011","12.6474","0.0011","90","","91.174","0.006","90","","1246.05","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0309","0.0304","","","0.0803","0.0808","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221995","7.9151","0.0008","14.3022","0.0011","12.8292","0.0009","90","","105.157","0.009","90","","1401.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride","","- C15 H12 Cl N5 O2 -","- C15 H12 Cl N5 O2 -","- C60 H48 Cl4 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0255","0.0254","","","0.0715","0.0716","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221996","14.1361","0.0009","3.7858","0.0003","24.2876","0.0015","90","","94.009","0.006","90","","1296.61","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0363","0.0328","","","0.0891","0.0929","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221997","7.6948","0.0008","7.7883","0.0008","23.7516","0.0019","85.64","0.004","84.706","0.005","61.897","0.004","1249.4","0.2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","3-(3-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","2","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0932","0.0689","","","0.1906","0.2052","","","","","","1.063","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7221998","6.8464","0.0007","13.9346","0.0011","16.3696","0.0014","90","","95.459","0.007","90","","1554.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C31 H28 Cl2 N10 O5 -","- C31 H28 Cl2 N10 O5 -","- C62 H56 Cl4 N20 O10 -","2","0.5","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0278","0.0278","","","0.0748","0.0748","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221999","14.9193","0.0004","3.8014","0.0001","23.8964","0.0007","90","","107.195","0.001","90","","1294.69","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0351","0.033","","","0.0957","0.0979","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222000","7.0341","0.0009","7.376","0.0009","12.4146","0.0011","79.762","0.006","79.663","0.009","78.553","0.009","614.27","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C30 H18 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0381","0.0357","","","0.0978","0.1017","","","","","","1.074","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222001","7.7747","0.0005","9.9551","0.0006","12.0764","0.0009","99.836","0.004","102.862","0.004","91.51","0.005","895.82","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C36 H36 Cl2 N10 O6 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0283","0.0283","","","0.079","0.079","","","","","","1.058","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222002","6.9683","0.0012","7.625","0.0017","14.408","0.003","75.576","0.014","87.07","0.02","68.757","0.017","690.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-[2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-a]phthalazine","","- C17 H11 N5 O2 -","- C17 H11 N5 O2 -","- C34 H22 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0362","0.0348","","","0.0959","0.0991","","","","","","1.056","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222004","12.7373","0.0009","4.8963","0.0005","22.33","0.0016","90","","95.249","0.009","90","","1386.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0329","0.0315","","","0.086","0.0874","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222005","10.636","0.0003","4.7798","0.0001","23.0987","0.0009","90","","96.131","0.002","90","","1167.57","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-bipyridyl","","","- C30 H20 N2 O6 -","- C30 H20 N2 O6 -","- C60 H40 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0634","0.039","","","0.092","0.096","","","","","","0.905","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222006","3.8157","0.0001","28.0772","0.0007","11.2326","0.0003","90","","96.542","0.002","90","","1195.56","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-ethylenebipyridine","","","- C32 H22 N2 O6 -","- C32 H22 N2 O6 -","- C64 H44 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.1185","0.0578","","","0.1227","0.1408","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222008","13.6937","0.0012","5.1534","0.0003","17.5288","0.0012","90","","92.329","0.007","90","","1235.97","0.16","299.3","0.6","299.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-hydroxypyridine","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0748","0.0445","","","0.1047","0.1242","","","","","","1.014","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222020","8.494","0.0009","31.934","0.004","10.1921","0.0011","90","","106.524","0.002","90","","2650.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O8 S Zn -","- C26 H18 N4 O8 S Zn -","- C104 H72 N16 O32 S4 Zn4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0666","0.0476","","","0.1281","0.1409","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222021","9.8185","0.0007","11.7979","0.0008","12.0667","0.0008","92.113","0.001","96.599","0.001","103.681","0.001","1346.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0482","0.0379","","","0.1084","0.1243","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222022","9.796","0.002","12.414","0.003","12.664","0.003","87.546","0.004","89.132","0.004","84.732","0.004","1532","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0724","0.0432","","","0.1095","0.1372","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222023","24.0679","0.0011","17.2213","0.0007","14.2795","0.0006","90","","90.854","0.001","90","","5917.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N4 O8 S Zn -","- C32 H22 N4 O8 S Zn -","- C256 H176 N32 O64 S8 Zn8 -","8","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0719","0.0418","","","0.1129","0.1414","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222024","14.2687","0.0007","15.7567","0.0007","16.2206","0.0007","67.915","0.001","79.632","0.001","73.899","0.001","3234.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 N8 O21 S4 Zn2 -","- C64 H48 N8 O21 S4 Zn2 -","- C128 H96 N16 O42 S8 Zn4 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0651","0.0434","","","0.1198","0.1359","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222025","22.7246","0.0008","18.9485","0.0007","13.5373","0.0005","90","","93.8","0.001","90","","5816.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd2 N8 O15 S2 -","- C64 H44 Cd2 N8 O15 S2 -","- C256 H176 Cd8 N32 O60 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.054","0.0392","","","0.1183","0.141","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222026","20.327","0.009","10.439","0.005","28.387","0.012","90","","103.948","0.008","90","","5846","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cd2 N8 O16 S2 -","- C60 H40 Cd2 N8 O16 S2 -","- C240 H160 Cd8 N32 O64 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0814","0.0441","","","0.1138","0.1396","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222027","10.8259","0.0006","19.6449","0.001","16.287","0.0009","90","","90.987","0.001","90","","3463.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cd N5 O8 S -","- C33 H27 Cd N5 O8 S -","- C132 H108 Cd4 N20 O32 S4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0628","0.04","","","0.1065","0.122","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222028","6.0695","0.0004","8.3911","0.0007","26.115","0.006","89.456","0.012","84.079","0.012","76.113","0.006","1284.1","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.1794","0.0858","","","0.1863","0.237","","","","","","1.02","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222029","6.0634","0.0005","8.424","0.0008","26.071","0.006","89.426","0.014","83.996","0.013","76.122","0.008","1285.5","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.803 N O3 -","- C60 H73.606 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2094","0.0987","","","0.2188","0.2827","","","","","","1.05","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222030","6.0554","0.0004","8.459","0.0004","25.964","0.006","89.446","0.009","83.899","0.011","76.113","0.005","1283.6","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.711 N O3 -","- C60 H73.422 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2241","0.1087","","","0.2639","0.3392","","","","","","1.048","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222031","6.0463","0.0007","8.5062","0.0007","25.806","0.007","89.348","0.014","83.848","0.017","76.058","0.009","1280.6","0.4","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.62 N O3 -","- C60 H73.24 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2813","0.1244","","","0.2994","0.3968","","","","","","1.127","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222032","6.035","0.0015","8.5245","0.0015","25.662","0.009","89.33","0.03","84.02","0.04","76.051","0.018","1274.2","0.6","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.59 N O3 -","- C60 H73.18 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2888","0.1362","","","0.3416","0.426","","","","","","1.214","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222033","5.8708","0.001","8.2465","0.0009","25.906","0.009","90.242","0.018","83.83","0.03","75.925","0.012","1208.9","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2353","0.1118","","","0.2701","0.3629","","","","","","1.023","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222034","5.8654","0.0012","8.2731","0.001","25.827","0.009","90.2","0.019","83.68","0.03","75.915","0.015","1207.6","0.5","299","2","299","2","","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.83 N O3 -","- C60 H73.66 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2835","0.1415","","","0.324","0.4244","","","","","","1.234","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222035","5.8605","0.0014","8.2848","0.001","25.791","0.009","90.17","0.02","83.63","0.04","75.954","0.016","1206.7","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.78 N O3 -","- C60 H73.56 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.299","0.1408","","","0.3361","0.4385","","","","","","1.223","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222053","11.0915","0.0002","13.6907","0.0004","15.0334","0.0004","90","","91.931","0.002","90","","2281.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","4","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.0914","0.0469","","","0.1027","0.1276","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222054","36.07","0.002","21.17","0.0012","17.8547","0.0011","90","","91.22","0.004","90","","13630.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N12 O12 Zn3 -","- C84 H54 N12 O12 Zn3 -","- C336 H216 N48 O48 Zn12 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.1215","0.0715","","","0.2087","0.2226","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222059","16.177","0.003","7.5746","0.0013","19.698","0.004","90","","107.485","0.009","90","","2302.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0609","","","0.1743","0.1852","","","","","","1.205","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222060","16.337","0.013","7.599","0.006","19.883","0.015","90","","107.782","0.009","90","","2350","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1763","0.0974","","","0.2147","0.2727","","","","","","1.143","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222061","9.117","0.006","11.604","0.008","18.108","0.012","90","","92.885","0.008","90","","1913","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0573","0.0524","","","0.1547","0.1589","","","","","","1.139","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222062","7.6951","0.001","20.299","0.002","9.089","0.001","90","","92.677","0.006","90","","1418.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0607","0.0522","","","0.1512","0.1697","","","","","","1.114","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222064","7.9","0.004","22.159","0.011","8.964","0.005","90","","106.54","0.005","90","","1504.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0553","0.0484","","","0.1366","0.1492","","","","","","1.1","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222065","7.842","0.002","21.894","0.004","9.26","0.003","90","","106.278","0.012","90","","1526.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0736","0.0632","","","0.1757","0.1915","","","","","","1.14","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222066","7.986","0.005","16.748","0.01","8.276","0.005","90","","90.474","0.008","90","","1106.9","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0541","0.0488","","","0.1445","0.1559","","","","","","1.125","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222067","7.718","0.005","18.754","0.011","9.201","0.006","90","","96.278","0.008","90","","1323.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.06","0.054","","","0.1501","0.156","","","","","","1.086","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222069","7.821","0.003","22.849","0.008","8.387","0.003","90","","91.286","0.015","90","","1498.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0623","0.0546","","","0.1524","0.1691","","","","","","1.096","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222071","17.8576","0.0019","9.9354","0.001","18.732","0.002","90","","105.457","0.004","90","","3203.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.12","0.0796","","","0.2029","0.2461","","","","","","1.116","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222072","8.139","0.002","12.331","0.004","16.793","0.005","90","","98.031","0.013","90","","1668.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0799","0.0662","","","0.1964","0.2119","","","","","","1.088","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222073","18.468","0.003","7.2386","0.0011","11.831","0.002","90","","91.866","0.01","90","","1580.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0779","0.0663","","","0.1852","0.2005","","","","","","1.059","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222074","7.656","0.007","22.46","0.02","8.94","0.008","90","","91.516","0.014","90","","1537","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0926","0.0721","","","0.1997","0.224","","","","","","1.149","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222075","7.742","0.004","22.159","0.011","9.1","0.005","90","","93.63","0.005","90","","1558","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0613","0.0503","","","0.1427","0.1623","","","","","","1.165","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222076","9.097","0.017","12.117","0.019","12.53","0.02","73.19","0.05","81.98","0.05","75.42","0.05","1276","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.2668","0.1231","","","0.2833","0.3809","","","","","","1.002","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222077","7.734","0.005","9.196","0.006","20.844","0.014","101.37","0.015","94.21","0.03","96.022","0.017","1438.6","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N4 O4 -","- C33 H34 N4 O4 -","- C66 H68 N8 O8 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1262","0.0729","","","0.1821","0.2307","","","","","","1.074","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222078","7.7071","0.0019","8.9632","0.0019","12.79","0.002","78.86","0.04","79.56","0.04","83.81","0.04","850.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0831","0.0632","","","0.1703","0.2029","","","","","","0.981","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222079","7.287","0.006","9.179","0.007","14.419","0.011","105.567","0.019","90.12","0.03","93.375","0.019","927.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C44 H46 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1177","0.0755","","","0.1922","0.2921","","","","","","0.949","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222080","7.635","0.005","9.055","0.008","17.237","0.013","96.22","0.03","94.09","0.02","113.734","0.015","1075.8","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O2 -","- C24 H28 N4 O2 -","- C48 H56 N8 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0586","","","0.1696","0.1865","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222085","12.8529","0.0005","13.5669","0.0004","14.6676","0.0005","90","","107.713","0.001","90","","2436.4","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0349","0.0263","","","0.0667","0.0715","","","","","","1.032","","","","has coordinates","173741","2020-10-21","18:00:00",""
"7222086","12.8561","0.0004","13.618","0.0004","14.6351","0.0005","90","","107.906","0.001","90","","2438.12","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19.09 Br N2 O4 S2 -","- C28 H19.094 Br N2 O4 S2 -","- C112 H76.376 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0526","0.0333","","","0.0756","0.0836","","","","","","1.02","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222087","12.865","0.0006","13.6783","0.0006","14.6129","0.0007","90","","108.152","0.002","90","","2443.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0554","0.0364","","","0.0906","0.1018","","","","","","1.042","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222092","12.8049","0.001","14.1886","0.0009","14.4999","0.0011","90","","110.453","0.003","90","","2468.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1656","0.0781","","","0.1613","0.1988","","","","","","1.016","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222093","12.7386","0.0012","14.1989","0.0011","14.6254","0.0012","90","","110.594","0.004","90","","2476.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2066","0.1037","","","0.1538","0.1942","","","","","","1.04","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222094","12.6987","0.001","14.2111","0.0011","14.6928","0.0012","90","","110.648","0.003","90","","2481.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C27.997 H18.995 Br N1.999 O4 S2 -","- C111.988 H75.98 Br4 N7.996 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1621","0.083","","","0.1447","0.1747","","","","","","1.03","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222095","12.668","0.002","14.193","0.003","14.74","0.003","90","","110.608","0.005","90","","2480.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.0799","","","0.1465","0.1909","","","","","","1.019","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222096","12.683","0.0016","14.2527","0.0017","14.782","0.002","90","","110.713","0.004","90","","2499.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1588","0.0728","","","0.12","0.1482","","","","","","1.027","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222097","8.2573","0.0009","12.5878","0.0013","14.5411","0.0016","110.12","0.006","90.583","0.007","99.971","0.006","1393.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br Cl2 N2 O4 S2 -","- C29 H22 Br Cl2 N2 O4 S2 -","- C58 H44 Br2 Cl4 N4 O8 S4 -","2","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.1111","","","0.3219","0.3543","","","","","","1.075","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222098","12.7053","0.0008","23.1346","0.0014","8.5162","0.0005","90","","103.246","0.004","90","","2436.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1324","0.0664","","","0.1549","0.1709","","","","","","1.029","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222099","12.6357","0.001","14.2062","0.0011","14.7531","0.0012","90","","110.689","0.004","90","","2477.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1502","0.0907","","","0.1432","0.1663","","","","","","1.128","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222120","14.7932","0.0012","14.7382","0.0011","10.6919","0.0008","90","","112.289","0.001","90","","2156.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Ce N O12 -","- C21 H18 Ce N O12 -","- C84 H72 Ce4 N4 O48 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0358","0.0308","","","0.0741","0.078","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222121","9.3219","0.0006","10.5274","0.0006","11.1369","0.0007","64.34","0.001","80.881","0.001","82.009","0.001","969.64","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N Nd O9 -","- C21 H12 N Nd O9 -","- C42 H24 N2 Nd2 O18 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0396","0.0353","","","0.0941","0.0966","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222122","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N O9 -","- C21 H12 Eu N O9 -","- C84 H48 Eu4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.032","0.0298","","","0.0854","0.087","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222123","9.4281","0.0006","10.5623","0.0007","11.1893","0.0007","64.0602","0.0009","80.8746","0.0009","82.0709","0.0008","986.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O10.5 Sm -","- C21 H15 N O10.5 Sm -","- C42 H30 N2 O21 Sm2 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0267","0.024","","","0.0589","0.0605","","","","","","1.042","","","","has coordinates,has disorder","171037","2020-10-21","18:00:00",""
"7222124","17.72","0.04","12.11","0.02","9.324","0.019","90","","113.41","0.03","90","","1836","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H7 N O8 Tb -","- C21 H7 N O8 Tb -","- C84 H28 N4 O32 Tb4 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.1249","0.0812","","","0.1582","0.1752","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222125","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N O9 -","- C21 H12 Er N O9 -","- C84 H48 Er4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0399","0.0374","","","0.1113","0.1135","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222137","14.5012","0.0011","44.132","0.002","50.412","0.002","90","","90","","90","","32262","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 Eu N O8 -","- C16 H10 Eu N O8 -","- C512 H320 Eu32 N32 O256 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0642","0.0459","","","0.1039","0.1086","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222138","14.4927","0.0011","44.273","0.002","50.103","0.002","90","","90","","90","","32148","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 N O8 Tb -","- C16 H10 N O8 Tb -","- C512 H320 N32 O256 Tb32 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0561","0.0372","","","0.0878","0.0961","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222139","14.331","0.002","23.7137","0.0015","25.4868","0.0014","86.039","0.002","74.929","0.003","74.441","0.002","8057.1","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N4 Nd4 O32 -","- C64 H40 N4 Nd4 O32 -","- C128 H80 N8 Nd8 O64 -","2","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0619","0.045","","","0.1114","0.1165","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222140","11.7046","0.0009","14.5353","0.0011","28.585","0.002","85.514","0.001","78.994","0.001","66.817","0.001","4388.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 B Co2.5 N24 O46 W12 -","- C48 H54 B Co2.5 N24 O45 W12 -","- C96 H108 B2 Co5 N48 O90 W24 -","2","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.0555","0.042","","","0.0962","0.1011","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222141","39.245","0.008","15.242","0.003","23.514","0.005","90","","115.77","0.03","90","","12667","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Co N15 O43 P W12 -","- C30 H37 Co N15 O43 P W12 -","- C240 H296 Co8 N120 O344 P8 W96 -","8","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.074","0.0459","","","0.0898","0.0986","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222142","51.26","0.004","15.4783","0.001","24.3771","0.0016","90","","103.921","0.002","90","","18773","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B2 Cu5 N60 O84 W24 -","- C120 H126 B2 Cu5 N60 O84 W24 -","- C480 H504 B8 Cu20 N240 O336 W96 -","4","0.5","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.1087","0.0866","","","0.1705","0.1822","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222242","14.91","0.003","35.478","0.007","7.4293","0.0015","90","","99.21","0.03","90","","3879.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 -","- C41 H42 Cl2 N2 O10 -","- C164 H168 Cl8 N8 O40 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.061","0.043","","","0.0966","0.1068","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222243","6.6251","0.0013","34.49","0.007","8.4698","0.0017","90","","95.75","0.03","90","","1925.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O5 -","- C21 H20 Cl N O5 -","- C84 H80 Cl4 N4 O20 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0655","0.0424","","","0.0955","0.1065","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222245","15.035","0.003","7.2113","0.0014","11.025","0.002","90","","106.86","0.03","90","","1144","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N O4 -","- C11 H13 Cl N O4 -","- C44 H52 Cl4 N4 O16 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0508","0.0353","","","0.0886","0.0979","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222246","6.1768","0.0012","7.5101","0.0015","19.092","0.004","79.43","0.03","82.9","0.03","84.25","0.03","861.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C36 H40 Cl2 N2 O8 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0484","0.0385","","","0.0985","0.1045","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222247","5.49","0.0011","13.4","0.003","28.91","0.006","90","","90.9","0.03","90","","2126.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N O6 S -","- C20 H28 Cl N O6 S -","- C80 H112 Cl4 N4 O24 S4 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.1152","0.068","","","0.1291","0.1444","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222248","11.8675","0.0004","15.6072","0.0004","12.2828","0.0004","90","","112.86","0.001","90","","2096.32","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0818","0.0448","","","0.103","0.1192","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222249","11.8056","0.0014","15.6491","0.0019","12.2647","0.0015","90","","111.724","0.002","90","","2104.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1381","0.0706","","","0.1391","0.1653","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222250","9.78","0.002","11.388","0.002","11.566","0.002","115.12","0.03","101.58","0.03","104.11","0.03","1061.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0842","0.0503","","","0.1284","0.1481","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222251","8.87","0.002","10.41","0.003","16.836","0.005","76.16","0.005","88.162","0.006","76.165","0.006","1465.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(9-10-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)anthracene).2(2,3-Lutidine)","","","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1439","0.0606","","","0.1323","0.1683","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222252","8.815","0.0018","10.541","0.002","16.794","0.003","75.3","0.03","88.23","0.03","76.92","0.03","1469.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3)","","","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1522","0.0739","","","0.1854","0.2235","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222253","10.964","0.002","14.24","0.003","20.271","0.004","109.78","0.03","97.99","0.03","95","0.03","2918.5","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1163","0.0702","","","0.1942","0.2256","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222254","7.745","0.0004","10.1392","0.0004","12.8039","0.0006","87.03","0.002","74.328","0.002","74.741","0.002","933.76","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0683","0.0425","","","0.1027","0.1151","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222255","7.6847","0.0003","10.8142","0.0005","12.3664","0.0005","77.867","0.002","77.131","0.002","70.639","0.002","934.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene.2(3,4-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0623","0.0407","","","0.0974","0.1075","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222264","20.28","0.003","7.5025","0.0012","20.478","0.003","90","","99.022","0.003","90","","3077.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd2 F8 N4 O8 -","- C28 H18 Cd2 F8 N4 O8 -","- C112 H72 Cd8 F32 N16 O32 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0967","0.0841","","","0.2181","0.2236","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222265","10.102","0.0018","9.3434","0.0017","11.929","0.002","90","","91.259","0.003","90","","1125.7","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 F4 N4 Ni O4 -","- C20 H18 F4 N4 Ni O4 -","- C40 H36 F8 N8 Ni2 O8 -","2","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0604","0.0541","","","0.156","0.1607","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222266","9.437","0.002","11.304","0.004","11.371","0.003","116.906","0.005","113.912","0.004","92.898","0.006","947.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0911","0.076","","","0.1932","0.2182","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222267","9.2303","0.0013","11.4497","0.0015","11.7396","0.0015","119.054","0.002","90.297","0.002","111.767","0.002","980.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.061","0.0522","","","0.1316","0.1411","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222268","8.908","0.004","12.428","0.005","32.131","0.013","93.525","0.007","95.154","0.007","92.39","0.007","3532","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cd3 F12 N12 O15 -","- C63 H66 Cd3 F12 N12 O15 -","- C126 H132 Cd6 F24 N24 O30 -","2","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0842","0.0545","","","0.1275","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222269","11.045","0.002","16.273","0.003","14.238","0.003","90","","111.342","0.003","90","","2383.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cd F4 N4 O5 -","- C21 H22 Cd F4 N4 O5 -","- C84 H88 Cd4 F16 N16 O20 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.1287","0.0747","","","0.1684","0.1967","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222270","5.678","0.001","5.6456","0.0007","32.491","0.012","90","","93.09","0.02","90","","1040","0.4","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.1305","0.0954","","","0.2314","0.2598","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222271","5.7123","0.0019","5.7076","0.0017","33.016","0.018","90","","93.68","0.05","90","","1074.2","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.2607","0.0769","","","0.1598","0.2016","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222296","9.3177","0.0004","9.3177","0.0004","9.3177","0.0004","90","","90","","90","","808.96","0.06","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","silver molybdate","disilver dioxido(dioxo)molybdenum","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S.","Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents","CrystEngComm","2015","17","43","8207","","10.1039/C5CE01662B","powder diffraction","x-ray","1.5405","CuKα","","0.0854","0.0922","","","0.1273","","0.04395","","1.38","","","1.38","","","","has coordinates","265250","2021-05-15","21:31:22",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7222315","8.2775","0.0008","14.9469","0.0015","20.733","0.002","90","","98.852","0.002","90","","2534.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 Nd O9 S -","- C24 H17 N4 Nd O9 S -","- C96 H68 N16 Nd4 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0455","0.0388","","","0.1005","0.1044","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222316","8.2415","0.0008","14.9167","0.0015","20.773","0.002","90","","98.86","0.002","90","","2523.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 O9 S Sm -","- C24 H17 N4 O9 S Sm -","- C96 H68 N16 O36 S4 Sm4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0337","0.0267","","","0.0604","0.0636","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222317","8.2038","0.0009","14.8931","0.0017","20.772","0.002","90","","98.813","0.002","90","","2508","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Gd N4 O9 S -","- C24 H17 Gd N4 O9 S -","- C96 H68 Gd4 N16 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.04","0.0283","","","0.0608","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222319","9.07","0.0011","9.0825","0.0011","14.4882","0.0017","95.756","0.002","91.454","0.002","99.401","0.002","1170.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C48 H38 N8 O16 Pr2 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0317","0.0276","","","0.0596","0.0623","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222320","9.0064","0.0009","9.0831","0.001","14.4399","0.0014","95.147","0.002","91.28","0.002","99.076","0.001","1161","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Sm -","- C24 H19 N4 O8 S Sm -","- C48 H38 N8 O16 S2 Sm2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0265","0.0241","","","0.0552","0.057","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222321","8.9637","0.0011","9.0728","0.001","14.4541","0.0017","94.827","0.002","91.126","0.002","98.795","0.002","1156.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Gd N4 O8 S -","- C24 H19 Gd N4 O8 S -","- C48 H38 Gd2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0282","0.0246","","","0.0522","0.0543","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222322","8.9094","0.0014","9.0407","0.0014","14.458","0.002","94.501","0.002","91.024","0.003","98.578","0.003","1147.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Dy N4 O8 S -","- C24 H19 Dy N4 O8 S -","- C48 H38 Dy2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0449","0.0354","","","0.0678","0.0721","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222323","8.895","0.0014","9.0742","0.0014","14.465","0.002","94.25","0.002","91.157","0.003","97.971","0.002","1152.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Ho N4 O8 S -","- C24 H19 Ho N4 O8 S -","- C48 H38 Ho2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0444","0.0361","","","0.0692","0.0725","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222324","8.872","0.007","9.023","0.008","14.475","0.012","94.059","0.016","91.016","0.014","98.053","0.016","1144","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Er N4 O8 S -","- C24 H17 Er N4 O8 S -","- C48 H34 Er2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.18","0.0987","","","0.1945","0.236","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222325","8.8933","0.0019","9.0472","0.0019","14.467","0.003","94.285","0.004","90.906","0.004","98.511","0.004","1147.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Y -","- C24 H19 N4 O8 S Y -","- C48 H38 N8 O16 S2 Y2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0736","0.05","","","0.1063","0.1189","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222326","13.6008","0.0012","13.5013","0.0012","13.133","0.0012","90","","96.231","0.001","90","","2397.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C96 H76 N16 O32 Pr4 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0274","0.0216","","","0.0456","0.0475","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222327","17.9503","0.0015","11.2846","0.0006","9.2574","0.0005","90","","119.709","0.007","90","","1628.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H28 N6 O6 Zn -","- C36 H28 N6 O6 Zn -","- C72 H56 N12 O12 Zn2 -","2","0.25","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.087","0.0656","","","0.1461","0.1567","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222328","9.4863","0.0009","9.8132","0.0009","11.1496","0.0011","68.615","0.009","89.254","0.008","63.457","0.01","850.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","1","0.5","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0617","0.0516","","","0.1267","0.1334","","","","","","0.921","","","","has coordinates","171054","2020-10-21","18:00:00",""
"7222329","9.3515","0.0006","26.1628","0.0012","10.141","0.0006","90","","113.673","0.007","90","","2272.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N4 O7 Pb -","- C19 H19 N4 O7 Pb -","- C76 H76 N16 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0662","0.0505","","","0.1198","0.1316","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222330","12.7971","0.0009","11.8723","0.001","20.1498","0.0017","90","","121.569","0.006","90","","2608.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N6 O7 Pb -","- C25 H23 N6 O7 Pb -","- C100 H92 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0795","0.054","","","0.1161","0.1294","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222331","12.0677","0.0004","18.149","0.0004","12.1215","0.0004","90","","110.818","0.004","90","","2481.49","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O7 Pb -","- C24 H21.38 N6 O7 Pb -","- C96 H85.52 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0347","0.0269","","","0.0634","0.066","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222347","8.9739","0.0007","9.4407","0.0006","11.7436","0.0008","92.162","0.005","96.638","0.006","104.282","0.006","955.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0587","0.05","","","0.1235","0.1294","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222348","8.7304","0.0007","9.6666","0.0009","13.3193","0.001","96.972","0.007","100.487","0.006","104.709","0.007","1052.33","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0767","0.0575","","","0.1416","0.1574","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222349","10.1464","0.0011","14.2825","0.0014","15.3309","0.0017","111.046","0.01","97.101","0.009","101.812","0.009","1981.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C36 H43 Ag2 B2 F8 N9 -","- C36 H43 Ag2 B2 F8 N9 -","- C72 H86 Ag4 B4 F16 N18 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.1015","0.0575","","","0.1281","0.1592","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222350","10.037","0.0005","14.3332","0.0006","15.4185","0.0008","111.125","0.004","97.059","0.004","100.307","0.004","1992.81","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C37 H46 Ag2 B2 F8 N8 O -","- C37 H46 Ag2 B2 F8 N8 O -","- C74 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0745","0.0504","","","0.1197","0.1386","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222351","9.8865","0.0005","14.2717","0.0008","15.4908","0.0008","109.722","0.005","96.569","0.004","101.58","0.004","1975.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C36 H46 Ag2 B2 F8 N8 O -","- C36 H46 Ag2 B2 F8 N8 O -","- C72 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0882","0.0662","","","0.1768","0.1919","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222352","8.907","0.0004","9.6544","0.0004","12.2203","0.0005","92.845","0.002","103.284","0.002","101.842","0.002","995.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","1.54178","CuKα","","0.0471","0.0388","","","0.0895","0.0931","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222366","22.92","0.01","23.62","0.01","36.17","0.02","90","","90","","90","","19581","16","100","2","100","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C94.8 H137.2 N O23.8 -","- C86 H124 N O15 -","- C688 H992 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.9","","","0.1537","0.1118","","","0.2035","0.2162","","","","","","1.026","","","","has coordinates,has disorder","171039","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222370","10.5945","0.0016","12.9146","0.0019","15.642","0.002","91.073","0.002","94.126","0.002","93.942","0.002","2129","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","1","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0796","0.0489","","","0.1391","0.1754","","","","","","1.071","","","","has coordinates","171062","2020-10-21","18:00:00",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222373","11.0623","0.0012","22.07","0.002","10.3481","0.0011","90","","108.293","0.002","90","","2398.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H47 Cu2 N3 O8 -","- C53 H47 Cu2 N3 O8 -","- C106 H94 Cu4 N6 O16 -","2","0.25","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0657","0.0481","","","0.1016","0.1076","","","","","","0.989","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222397","21.9124","0.0004","28.8956","0.0005","26.8085","0.0005","90","","108.904","0.0007","90","","16058.8","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H78.5 B2 Co Fe2 N6 O2 -","- C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25 -","- C818 H628 B16 Co8 Fe15.996 N48 O18 -","8","2","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1031","0.0787","","","0.1961","0.2126","","","","","","1.01","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222398","12.6886","","13.1123","","19.4242","","81.413","","75.481","","71.412","","2956.84","","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","1","0.5","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1921","0.0979","","","0.2596","0.3503","","","","","","1.071","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222437","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C46.25 H55.75 N20.38 Ni3 O12.38 -","- C30 H18 N15 Ni3 O7 -","- C240 H144 N120 Ni24 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0294","0.0289","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222438","23.57","0.003","23.57","0.003","23.57","0.003","90","","90","","90","","13094","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C38 H40 Co3 N18 O9 -","- C30 H18 Co3 N15 O7 -","- C240 H144 Co24 N120 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0762","0.0661","","","0.1594","0.1648","","","","","","1.04","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222443","18.0026","0.0005","18.0026","0.0005","13.3316","0.0002","90","","90","","120","","3741.82","0.16","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H72 Be12 N8 O54 P16 -","- C12 H60 Be12 N8 O48 P16 -","- C24 H120 Be24 N16 O96 P32 -","2","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen","An open-framework beryllium phosphite with extra-large 18-ring channels","CrystEngComm","2015","17","44","8414","","10.1039/C5CE01507C","","","0.71073","MoKα","","0.0929","0.0783","","","0.1518","0.1593","","","","","","1.228","","","","has coordinates","171044","2020-10-21","18:00:00",""
"7222446","20.803","0.002","9.503","0.0005","14.7247","0.0013","90","","100.224","0.008","90","","2864.7","0.4","393","2","393","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.3087","0.1192","","","0.2769","0.364","","","","","","0.735","","","","has coordinates","160724","2020-10-21","18:00:00",""
"7222447","20.798","0.002","9.502","0.0005","14.4536","0.0016","90","","100.8","0.009","90","","2805.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1417","0.0663","","","0.1522","0.1796","","","","","","0.815","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222450","9.986","0.009","15.21","0.016","6.35","0.006","90","","99.09","0.03","90","","952.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz","A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate","CrystEngComm","2015","17","45","8645","","10.1039/C5CE01037C","","","0.71073","MoKα","","0.0253","0.013","","","0.0262","0.0272","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222451","9.9843","0.0006","9.9843","0.0006","18.2816","0.0018","90","","90","","90","","1822.4","0.2","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 H6 In O8 -","- C16 H6 In O8 -","- C32 H12 In2 O16 -","2","0.125","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","0.71073","MoKα","","0.0805","0.0682","","","0.2076","0.2219","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222459","6.467","0.002","6.4665284","","6.4665284","","90","","90","","90","","270.42","0.08","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Sn Alpha","","","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:20",""
"7222460","5.8393","0.0007","5.8392763","","3.1876","0.0004","90","","90","","90","","108.689","0.019","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","Sn Beta","","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:31",""
"7222893","28.3363","0.0008","13.4618","0.0003","18.2577","0.0006","90","","106.78","0.003","90","","6668","0.3","100.02","0.1","100.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H66 Cd N4 O11.5 S2 -","- C69.5 H66 Cd N4 O11.5 S2 -","- C278 H264 Cd4 N16 O46 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.055","0.0513","","","0.1468","0.1522","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222894","28.4411","0.0008","13.5404","0.0003","18.3193","0.0005","90","","107.657","0.003","90","","6722.5","0.3","107","10","107","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cd N4 O10 S2 -","- C75.998 H70 Cd N4 O10 S2 -","- C303.992 H280 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0547","0.0484","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222895","28.3542","0.0006","13.5093","0.0002","18.2748","0.0003","90","","107.387","0.002","90","","6680.2","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.041","0.0382","","","0.1158","0.118","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222896","28.4302","0.0006","13.5048","0.0002","18.2481","0.0004","90","","107.277","0.002","90","","6690.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0564","0.052","","","0.1562","0.1607","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222897","28.7379","0.0011","13.4646","0.0004","18.2108","0.0008","90","","108.003","0.004","90","","6701.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Cd N4 O10 S2 -","- C78 H74 Cd N4 O10 S2 -","- C312 H296 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0604","0.0527","","","0.1539","0.1597","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222998","15.3138","0.0007","23.0323","0.0006","14.3495","0.0006","90","","115.858","0.005","90","","4554.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Ag3 Co I5 N8 -","- C40 H30 Ag3 Co I5 N8 -","- C160 H120 Ag12 Co4 I20 N32 -","4","1","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0779","0.0504","","","0.1041","0.118","","","","","","1.044","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7222999","14.8002","0.0016","14.8002","0.0016","24.789","0.003","90","","90","","120","","4702.5","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H50 Ag11 Co2 I15 N12 O -","- C72 H48 Ag11.0001 Co2 I15 N12 O -","- C144 H96 Ag22.0002 Co4 I30 N24 O2 -","2","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1406","0.1329","","","0.2941","0.2981","","","","","","1.288","","","","has coordinates,has disorder","173758","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223001","14.868","0.003","14.868","0.003","25.012","0.004","90","","90","","120","","4788.3","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.2204","0.1696","","","0.3761","0.4104","","","","","","1.033","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223003","14.8402","0.0004","14.8402","0.0004","24.9918","0.0008","90","","90","","120","","4766.6","0.2","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0901","0.0724","","","0.2319","0.2486","","","","","","1.156","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223010","7.8996","0.0005","9.7188","0.0004","10.8839","0.0007","97.916","0.004","95.921","0.006","113.064","0.005","750.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.0348","","","0.0757","0.0812","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223011","10.1604","0.0006","11.2134","0.0006","12.1942","0.0007","102.647","0.005","95.448","0.004","107.156","0.005","1276.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N3 O6 -","- C29 H23 Cd N3 O6 -","- C58 H46 Cd2 N6 O12 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0551","0.0477","","","0.1242","0.1309","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223012","9.952","0.0003","12.9516","0.0004","13.4675","0.0005","90","","104.847","0.004","90","","1677.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0408","0.0326","","","0.0691","0.0724","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223013","24.0555","0.0009","7.792","0.0003","18.1219","0.0006","90","","100.783","0.003","90","","3336.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.032","","","0.0709","0.0766","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223014","22.12","0.006","17.647","0.004","25.391","0.006","90","","97.171","0.004","90","","9834","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 N8 O24 Zn4 -","- C88 H56 N8 O24 Zn4 -","- C352 H224 N32 O96 Zn16 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.099","0.0791","","","0.2501","0.2777","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223015","9.5144","0.0005","18.7601","0.0007","13.7258","0.0005","90","","92.244","0.004","90","","2448.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0344","0.0306","","","0.0715","0.0741","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223016","8.6783","0.0004","18.8256","0.0007","14.1402","0.0006","90","","91.928","0.004","90","","2308.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0495","0.0348","","","0.0732","0.0809","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223033","26.9021","0.001","17.0746","0.0006","27.7311","0.001","90","","119.295","0.001","90","","11109","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 Nd4 O40 -","- C98 H126 N6 Nd4 O40 -","- C392 H504 N24 Nd16 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0573","0.039","","","0.1003","0.1135","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223034","26.836","0.0016","16.9273","0.001","27.3958","0.0016","90","","118.806","0.001","90","","10904.9","1.1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 O40 Sm4 -","- C98 H124 N6 O40 Sm4 -","- C392 H496 N24 O160 Sm16 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0394","0.0311","","","0.0918","0.0993","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223035","26.8066","0.0009","16.8139","0.0006","27.5667","0.001","90","","119.657","0.001","90","","10797.3","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 Gd4 N6 O40 -","- C98 H126 Gd4 N6 O40 -","- C392 H504 Gd16 N24 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0542","0.0377","","","0.1031","0.1204","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223036","12.7298","0.0008","12.941","0.0008","14.4839","0.0009","79.788","0.001","74.518","0.001","72.818","0.001","2184.2","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0605","0.043","","","0.113","0.1211","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223037","10.6807","0.0006","8.8299","0.0008","10.9759","0.0005","90","","94.604","0.005","90","","1031.79","0.12","295","2","295","2","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0349","0.0286","","","0.0621","0.0677","","","","","","1.114","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223038","10.6575","0.0005","8.7649","0.0009","10.9567","0.0005","90","","94.589","0.005","90","","1020.21","0.12","295","2","295","2","","","150000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0312","0.0271","","","0.0557","0.0578","","","","","","1.084","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223039","10.6184","0.0004","8.6082","0.0008","10.9307","0.0004","90","","94.591","0.004","90","","995.92","0.11","295","2","295","2","","","580000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0303","0.0266","","","0.0614","0.0634","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223040","10.6243","0.0005","8.403","0.0008","10.9113","0.0005","90","","94.483","0.004","90","","971.14","0.11","295","2","295","2","","","970000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.024","","","0.0531","0.0559","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223041","10.6792","0.0004","8.0977","0.0007","10.9004","0.0004","90","","94.192","0.004","90","","940.11","0.1","295","2","295","2","","","1610000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.027","0.0239","","","0.0507","0.0525","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223042","10.675","0.0005","7.8148","0.0008","10.8204","0.0004","90","","93.829","0.004","90","","900.66","0.11","295","2","295","2","","","2600000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0266","0.0231","","","0.0525","0.0551","","","","","","1.108","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223043","10.6557","0.0004","7.7006","0.0007","10.7594","0.0004","90","","93.693","0.004","90","","881.03","0.09","295","2","295","2","","","3300000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0292","0.0249","","","0.0492","0.0512","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223044","10.6379","0.0004","7.6361","0.0006","10.7112","0.0003","90","","93.601","0.003","90","","868.38","0.08","295","2","295","2","","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0247","0.0224","","","0.0487","0.0498","","","","","","1.08","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223045","10.6148","0.0004","7.568","0.0007","10.6476","0.0004","90","","93.508","0.003","90","","853.75","0.09","295","2","295","2","","","4400000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0265","0.024","","","0.0557","0.0575","","","","","","1.083","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223046","10.6023","0.0005","7.5308","0.0007","10.6049","0.0004","90","","93.439","0.004","90","","845.21","0.09","295","2","295","2","","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.0252","","","0.0586","0.0603","","","","","","1.07","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223047","10.5931","0.0004","7.4783","0.0007","10.5357","0.0004","90","","93.3","0.004","90","","833.24","0.09","295","2","295","2","","","5500000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0261","0.0232","","","0.0536","0.0564","","","","","","1.098","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223048","10.5914","0.0005","7.4435","0.0007","10.4601","0.0004","90","","93.121","0.004","90","","823.42","0.09","295","2","295","2","","","6010000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0281","0.0256","","","0.0603","0.0618","","","","","","1.089","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223050","9.3753","0.0004","16.5379","0.0008","18.0472","0.0009","90","","101.094","0.001","90","","2745.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 N8 O8 Zn2 -","- C56 H42 N8 O8 Zn2 -","- C112 H84 N16 O16 Zn4 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0706","0.0476","","","0.128","0.1359","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223051","8.928","0.002","16.369","0.004","17.65","0.004","90","","99.023","0.004","90","","2547.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N4 O5 Zn -","- C28 H23 N4 O5 Zn -","- C112 H92 N16 O20 Zn4 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0866","0.0574","","","0.1738","0.1937","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223052","24.15","0.02","14.463","0.013","8.914","0.008","90","","90.251","0.016","90","","3113","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu N4 O8 -","- C36 H26 Cu N4 O8 -","- C144 H104 Cu4 N16 O32 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0914","0.0672","","","0.1812","0.2004","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223053","11.573","0.003","13.892","0.004","14.655","0.004","62.631","0.004","68.977","0.004","68.8","0.004","1897.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.083","0.0544","","","0.1395","0.1533","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223054","7.455","0.006","17.478","0.014","17.024","0.013","90","","101.686","0.013","90","","2172","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 Ni O5 -","- C25 H19 N4 Ni O4 -","- C100 H76 N16 Ni4 O16 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0931","0.0553","","","0.1341","0.1506","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223055","12.0561","0.0002","13.4846","0.0003","21.0459","0.0005","90","","97.4474","0.0009","90","","3392.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C146.4 H116.8 Cl4.8 N8 Ni4 P8 S8 -","4","1","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0922","0.0505","","","0.1151","0.1331","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223056","11.7944","0.0001","18.1645","0.0002","61.6538","0.0008","90","","90","","90","","13208.7","0.3","150","2","150","2","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C549.6 H459.2 Cl11.2 N32 Ni16 P32 S32 -","4","0.25","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0481","0.0346","","","0.0707","0.0758","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223093","5.453","0.0005","8.0998","0.0009","14.4067","0.0017","95.208","0.01","98.408","0.009","107.43","0.007","594.44","0.12","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","1","0.5","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0453","0.0369","","","0.0952","0.1024","","","","","","1.033","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223094","8.1058","0.0006","8.5966","0.0007","15.1429","0.0012","90.034","0.004","95.059","0.005","99.868","0.005","1035.4","0.14","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu4 O14 S -","- C12 H22 Cu4 O14 S -","- C24 H44 Cu8 O28 S2 -","2","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0577","0.0486","","","0.1291","0.1368","","","","","","0.928","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223095","16.769","0.012","6.45","0.004","10.595","0.007","90","","95.894","0.007","90","","1139.9","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 O6 S -","- C8 H12 Cu2 O6 S -","- C32 H48 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0887","0.0544","","","0.1071","0.1239","","","","","","1.083","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223096","15.493","0.004","6.449","0.0014","10.597","0.003","90","","97.476","0.007","90","","1049.8","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu2 O6 S -","- C7 H10 Cu2 O6 S -","- C28 H40 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0523","0.0358","","","0.0779","0.0853","","","","","","1.013","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223097","16.394","0.003","13.578","0.003","18.261","0.003","90","","115.509","0.003","90","","3668.6","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Co2 N2 O12 -","- C41 H36 Co2 N2 O11.25 -","- C164 H144 Co8 N8 O45 -","4","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.1473","0.0656","","","0.1215","0.1376","","","","","","0.998","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223098","7.7565","0.0006","9.5643","0.0008","15.1895","0.0014","96.781","0.007","94.868","0.007","110.509","0.007","1038.34","0.16","298.5","0.4","298.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N2 O7 -","- C23 H20 Mn N2 O7 -","- C46 H40 Mn2 N4 O14 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.0887","0.0536","","","0.081","0.0983","","","","","","1.013","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223099","7.3524","0.0004","10.8982","0.0005","24.64","0.0014","90.393","0.004","90.391","0.004","98.794","0.004","1951.03","0.18","298.2","0.5","298.2","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O8 -","- C20 H19 Mn N2 O8 -","- C80 H76 Mn4 N8 O32 -","4","2","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71","MoKα","","0.1091","0.0635","","","0.1347","0.1597","","","","","","0.986","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223100","9.8337","0.0012","10.0529","0.0007","15.735","0.003","98.507","0.01","106.136","0.013","97.295","0.008","1454.5","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Co N4 O5 -","- C34 H27 Co N4 O5 -","- C68 H54 Co2 N8 O10 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","x-ray","0.71073","MoKα","","0.1731","0.0952","","","0.1686","0.2183","","","","","","1.019","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223101","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223102","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223103","6.9264","0.0014","9.7188","0.0019","9.951","0.002","64.11","0.03","71.29","0.03","76.17","0.03","566.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C30 H20 Cl2 -","1","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1607","0.0711","","","0.122","0.1454","","","","","","1.001","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223104","4.622","0.0009","27.568","0.006","9.282","0.0019","90","","103.74","0.03","90","","1148.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2021","0.0856","","","0.142","0.1797","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223105","4.65","0.0009","28.225","0.006","9.326","0.0019","90","","104.36","0.03","90","","1185.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 I2 -","- C30 H20 I2 -","- C60 H40 I4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2034","0.0785","","","0.0977","0.1286","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223119","8.6157","0.0002","9.9155","0.0002","13.1345","0.0004","97.391","0.001","102.24","0.001","109.899","0.001","1006.17","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0563","0.0476","","","0.1207","0.1273","","","","","","1.043","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223120","7.7989","0.0003","9.1669","0.0004","12.4724","0.0006","89.47","0.002","75.754","0.002","76.412","0.003","838.95","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (2:1)","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0705","0.0515","","","0.115","0.1255","","","","","","1.044","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223121","9.201","0.0003","8.7153","0.0003","24.771","0.0011","90","","94.618","0.001","90","","1979.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Propranolol maleate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2376","0.0826","","","0.1179","0.1528","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223123","10.7741","0.0002","11.3507","0.0002","28.2413","0.0006","90","","90","","90","","3453.73","0.11","173","2","173","2","","","","","","","","4","P b n 21","P 2c -2ab","33","Propranolol oxalate methanol solvate (2:1:1)","","","- C34.9 H47.6 N2 O8.9 -","- C34.9 H47.6 N2 O8.9 -","- C139.6 H190.4 N8 O35.6 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2359","0.0792","","","0.1215","0.1601","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223124","12.9928","0.0006","6.4517","0.0003","19.842","0.0013","90","","106.6","0.002","90","","1593.95","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Propranolol oxalate (2:1)","","","- C17 H22 N O4 -","- C17 H22 N O4 -","- C68 H88 N4 O16 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2767","0.1619","","","0.399","0.4529","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223145","9.625","0.0003","13.5168","0.0004","23.6869","0.0007","90","","111.174","0.001","90","","2873.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Eu2 N3 O21 -","- C21 H21 Eu2 N3 O21 -","- C84 H84 Eu8 N12 O84 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0183","0.0161","","","0.039","0.0401","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223146","9.557","0.0019","13.361","0.003","23.414","0.006","90.16","0.03","111.68","0.03","89.29","0.03","2778","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O21 Tb2 -","- C21 H21 N3 O21 Tb2 -","- C84 H84 N12 O84 Tb8 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0315","0.0263","","","0.0659","0.0692","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223147","8.234","0.0016","10.489","0.002","13.085","0.003","93.86","0.03","102.68","0.03","106.85","0.03","1044.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H3 Gd2 N O20 -","- C11 H3 Gd2 N O20 -","- C22 H6 Gd4 N2 O40 -","2","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0257","0.022","","","0.0804","0.0948","","","","","","1.274","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223148","10.5042","0.0013","43.81","0.004","43.81","0.004","90","","90","","90","","20161","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Cd N2 O4 -","- C27 H22 Cd N2 O4 -","- C864 H704 Cd32 N64 O128 -","32","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0663","0.0422","","","0.0941","0.1101","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223149","10.0555","0.0015","18.049","0.003","10.8042","0.0017","90","","107.127","0.005","90","","1873.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cu2 N2 O8 -","- C41 H30 Cu2 N2 O8 -","- C82 H60 Cu4 N4 O16 -","2","0.5","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0595","0.0371","","","0.0801","0.0888","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223151","10.592","0.004","11.235","0.005","13.182","0.007","93.99","0.03","102.12","0.02","108.62","0.02","1437.5","1.2","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Br4 N2 S -","- C31 H24 Br4 N2 S -","- C62 H48 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.28","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223152","9.182","0.0018","9.6642","0.0019","14.466","0.003","83.296","0.004","75.723","0.004","73.399","0.004","1190.7","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0635","0.044","","","0.1018","0.1098","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223153","8.1907","0.0013","9.497","0.0015","15.261","0.002","90.457","0.003","96.073","0.004","98.192","0.003","1168.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0601","0.0428","","","0.1066","0.1136","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223154","7.7119","0.001","10.6252","0.0015","15.117","0.002","98.268","0.003","99.55","0.003","101.403","0.003","1177.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0827","0.0524","","","0.1312","0.1446","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223155","9.488","0.004","10.506","0.006","13.679","0.008","88.73","0.04","76.54","0.04","78.5","0.04","1299","1.2","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br4 N2 S -","- C27 H22 Br4 N2 S -","- C54 H44 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.048","","","","0.051","","","","","","1.45","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223161","17.7929","0.0011","17.7444","0.0012","28.2638","0.0018","90","","97.522","0.001","90","","8846.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Br3 Hg1.5 N4 O5.5 S1.5 -","- C38 H32 Br3 Hg1.5 N4 O4 -","- C304 H256 Br24 Hg12 N32 O32 -","8","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0722","0.0486","","","0.1105","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223162","9.108","0.002","15.513","0.003","30.601","0.007","90","","90.472","0.003","90","","4323.5","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Hg2 I4 N5 O4 -","- C40 H35 Hg2 I4 N5 O4 -","- C160 H140 Hg8 I16 N20 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0473","0.0422","","","0.0976","0.0996","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223163","8.9084","0.0019","14.54","0.003","15.73","0.003","71.47","0.003","89.982","0.003","77.678","0.003","1882.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C58 H62 Hg4 I8 N8 O9 S -","4","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0508","0.047","","","0.1257","0.1297","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223164","12.5139","0.0008","26.9719","0.0017","16.546","0.0011","90","","92.418","0.001","90","","5579.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 Hg2 I4 N6 O5.5 S1.5 -","- C44 H34 Hg2 I4 N6 O4 -","- C176 H136 Hg8 I16 N24 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0695","0.0607","","","0.1696","0.1747","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223165","14.9034","0.0012","14.5799","0.0012","15.1148","0.0012","90","","117.776","0.001","90","","2905.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Ag F6 N4 O4 P -","- C28 H28 Ag F6 N4 O4 P -","- C112 H112 Ag4 F24 N16 O16 P4 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0356","0.0325","","","0.0866","0.0894","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223167","12.7163","0.0019","14.533","0.002","14.628","0.002","62.589","0.002","83.154","0.002","74.119","0.002","2308.2","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Ag F6 N6 O7.5 P S -","- C46 H40 Ag F6 N6 O7.5 P S -","- C92 H80 Ag2 F12 N12 O15 P2 S2 -","2","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0765","0.0548","","","0.1317","0.1485","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223168","16.7572","0.0003","12.434","0.0002","19.4838","0.0003","90","","91.3502","0.0015","90","","4058.5","0.12","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ce(hfac)3(BrPyDTDA)2]","","","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C108 H36 Br8 Ce4 F72 N24 O24 S16 -","4","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","1.54184","CuKα","","0.0644","0.058","","","0.1445","0.1486","","","","","","1.071","","","","has coordinates","170196","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223175","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223176","12.918","0.0005","14.8371","0.0006","15.9001","0.0005","91.322","0.003","104.162","0.003","90.048","0.003","2954.03","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cd2 N4 O14 -","- C68 H56 Cd2 N4 O14 -","- C136 H112 Cd4 N8 O28 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","0.71073","MoKα","","0.0512","0.0327","","","0.0647","0.0706","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223184","5.1765","0.001","15.228","0.003","21.041","0.004","90","","93.91","0.03","90","","1654.8","0.6","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-BA cocrystal","","- C17 H14 F3 N O5 -","- C17 H14 F3 N O5 -","- C68 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.072","0.0651","","","0.15","0.1552","","","","","","1.179","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223185","17.345","0.007","5.1415","0.0017","19.447","0.007","90","","112.506","0.005","90","","1602.2","1","110","","110","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Triflusal-Isonicotinamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C64 H52 F12 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0686","0.0559","","","0.1566","0.1782","","","","","","1.108","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223186","5.5536","0.0011","11.95","0.002","12.2","0.002","96.01","0.03","94.85","0.03","95.99","0.03","797.1","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","Triflusal-2-Picoliniamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C32 H26 F6 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.0456","0.0442","","","0.1184","0.1198","","","","","","1.086","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223187","18.729","0.006","9.921","0.003","8.067","0.003","90","","97.605","0.004","90","","1485.7","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-Propionamide cocrystal","","- C13 H14 F3 N O5 -","- C13 H14 F3 N O5 -","- C52 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0453","0.0414","","","0.1118","0.1157","","","","","","1.067","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223188","14.601","0.003","10.92","0.002","15.342","0.003","90","","102.49","0.03","90","","2388.3","0.9","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triflusal-urea cocrystal","","- C21 H18 F6 N2 O9 -","- C21 H18 F6 N2 O9 -","- C84 H72 F24 N8 O36 -","4","0.5","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.04","0.0396","","","0.1075","0.1079","","","","","","1.061","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223189","19.8545","0.0008","5.06409","0.00017","21.853","0.0011","90","","114.362","0.006","90","","2001.56","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-valpromide cocrystal","","- C18 H24 F3 N O5 -","- C18 H24 F3 N O5 -","- C72 H96 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","x-ray","0.71073","MoKα","","0.0557","0.0456","","","0.1106","0.1167","","","","","","1.042","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223190","5.4112","0.0003","14.2338","0.0007","8.9052","0.0004","90","","95.922","0.005","90","","682.24","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mg2 N2 O14 P2 -","- C4 H16 Mg2 N2 O14 P2 -","- C8 H32 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0426","0.034","","","0.086","0.0924","","","","","","1.067","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223191","5.4134","0.0002","15.259","0.0006","9.0176","0.0004","90","","94.704","0.004","90","","742.37","0.05","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 Mg2 N2 O14 P2 -","- C5 H6 Mg2 N2 O14 P2 -","- C10 H12 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0539","0.0464","","","0.1188","0.1248","","","","","","1.113","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223192","7.6627","0.0003","7.8432","0.0003","9.7695","0.0003","72.092","0.003","83.275","0.003","84.998","0.003","554.04","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","1","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0419","0.0416","","","0.1107","0.1112","","","","","","1.114","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223194","9.3755","0.0002","7.4746","0.0001","15.431","0.0002","90","","100.119","0.002","90","","1064.55","0.03","292.1","0.3","292.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Mg N O9 P -","- C6 H12 Mg N O9 P -","- C24 H48 Mg4 N4 O36 P4 -","4","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0452","0.042","","","0.1123","0.1159","","","","","","1.116","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223195","15.1014","0.0002","10.96857","0.00017","22.3338","0.0004","90","","103.099","0.0015","90","","3603.12","0.1","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 Mg4 N3 O30 P3 -","- C18 H34 Mg4 N3 O30 P3 -","- C72 H136 Mg16 N12 O120 P12 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0514","0.0486","","","0.1333","0.1366","","","","","","1.032","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223197","9.3254","0.0002","9.428","0.0003","14.306","0.0004","96.449","0.002","103.879","0.002","104.35","0.002","1163.07","0.06","292.8","0.4","292.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 Mg2 N3 O19 P2 -","- C10 H27 Mg2 N3 O19 P2 -","- C20 H54 Mg4 N6 O38 P4 -","2","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0487","0.0462","","","0.1285","0.1327","","","","","","1.063","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223772","11.243","0.002","18.664","0.004","21.085","0.004","90","","97.99","0.03","90","","4381.5","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C144 H224 Ag20 N60 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0287","0.0259","","","0.0619","0.0635","","","","","","1.008","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223773","11.365","0.005","9.329","0.004","20.985","0.01","90","","97.4147","0.0015","90","","2206.3","1.7","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C72 H112 Ag10 N30 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0905","","","","","","1.079","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223774","9.8861","0.0011","14.398","0.0015","15.8646","0.0017","91.955","0.001","73.911","0.001","74.304","0.001","2074.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Ag4 N12 O0 -","- C35 H59 Ag4 N12 -","- C70 H118 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0317","0.0269","","","0.0629","0.0664","","","","","","1.028","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223775","10.37","0.0004","14.3641","0.0005","15.3164","0.0006","89.577","0.001","74.198","0.001","69.63","0.001","2048.28","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ag4 N12 O0 -","- C32 H56 Ag4 N12 -","- C64 H112 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0309","","","0.0747","0.0839","","","","","","1.009","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223778","21.8059","0.0006","20.5551","0.0005","22.2812","0.0005","90","","115.892","0.001","90","","8984.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H122 Ag8 N24 O -","- C71 H122 Ag8 N24 O -","- C284 H488 Ag32 N96 O4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.1281","0.0648","","","0.1768","0.2426","","","","","","1.073","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223782","15.3067","0.0001","16.8196","0.0005","24.5506","0.0009","87.508","0.007","80.791","0.006","70.565","0.005","5883.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H121 Mn13 O57 P11 -","- C51 H121 Mn13 O57 P11 -","- C102 H242 Mn26 O114 P22 -","2","1","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0788","0.0587","","","0.1732","0.1975","","","","","","1.063","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223783","17.496","0.008","20.314","0.009","18.017","0.008","90","","96.771","0.007","90","","6359","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H150 K2 Mn15 O64 P10 -","- C72 H122 K2 Mn15 O64 P10 -","- C144 H244 K4 Mn30 O128 P20 -","2","0.5","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0931","0.0776","","","0.2187","0.2436","","","","","","1.015","","","","has coordinates,has disorder","194615","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223785","7.715","0.0001","11.5101","0.0002","11.1237","0.0002","90","","103.364","0.001","90","","961.04","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0247","0.0237","","","0.0587","0.0595","","","","","","1.149","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223786","18.041","0.002","10.0013","0.0013","7.0529","0.0009","90","","111.642","0.005","90","","1182.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-cadmium)","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0939","0.0822","","","0.2544","0.2627","","","","","","1.108","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223787","18.1586","0.0008","10.3322","0.0005","7.2771","0.0004","90","","110.45","0.03","90","","1279.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-cadmium)","","- C13 H9 Br2 Cd N -","- C13 H9 Br2 Cd N -","- C52 H36 Br8 Cd4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0534","0.0293","","","0.0713","0.0804","","","","","","1.07","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223788","17.7013","0.0008","10.792","0.0005","7.6053","0.0003","90","","107.355","0.002","90","","1386.72","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-iodido)-(acridine)-cadmium)","","- C13 H9 Cd I2 N -","- C13 H9 Cd I2 N -","- C52 H36 Cd4 I8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0379","0.0276","","","0.0642","0.0683","","","","","","1.074","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223789","16.6766","0.0009","10.0104","0.0005","7.0588","0.0003","90","","96.055","0.002","90","","1171.82","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(phenazine)-cadmium)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0686","0.0715","","","","","","1.071","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223790","17.8278","0.0006","10.0406","0.0004","7.1913","0.0002","90","","111.792","0.002","90","","1195.27","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-mercury)","","- C13 H9 Cl2 Hg N -","- C13 H9 Cl2 Hg N -","- C52 H36 Cl8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0869","0.0745","","","0.1979","0.2099","","","","","","1.02","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223791","17.9548","0.0013","10.3152","0.0008","7.4205","0.0005","90","","110.814","0.002","90","","1284.64","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-mercury)","","- C13 H9 Br2 Hg N -","- C13 H9 Br2 Hg N -","- C52 H36 Br8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0387","0.025","","","0.0524","0.0561","","","","","","0.983","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223792","7.7038","0.0002","9.0194","0.0002","9.5803","0.0003","64.986","0.002","80.681","0.002","82.477","0.002","593.82","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(m2-chloro)-(phenazine)-mercury)","","- C12 H8 Cl2 Hg N2 -","- C12 H8 Cl2 Hg N2 -","- C24 H16 Cl4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.7107","MoKα","","0.0441","0.0296","","","0.0571","0.0587","","","","","","0.943","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223793","8.0543","0.0004","9.3336","0.0005","9.7594","0.0005","64.112","0.002","75.888","0.002","83.03","0.002","640.03","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(m2-bromo)-(phenazine)-mercury)","catena-(bis(m2-bromo)-(phenazine)-mercury)","","- C12 H8 Br2 Hg N2 -","- C12 H8 Br2 Hg N2 -","- C24 H16 Br4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0923","0.0787","","","0.203","0.2177","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223794","4.0824","0.0002","9.6723","0.0005","11.1027","0.0005","71.406","0.002","80.156","0.002","78.525","0.002","404.48","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-bromo)-(2-phenazine)-mercury)","","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0272","0.0263","","","0.0691","0.07","","","","","","1.092","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223795","7.3885","0.0004","7.6432","0.0005","9.6655","0.0007","68.076","0.002","87.897","0.002","88.821","0.002","506","0.06","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-chloro)-(quinoline)-mercury)","","- C9 H7 Cl2 Hg N -","- C9 H7 Cl2 Hg N -","- C18 H14 Cl4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.048","0.0369","","","0.0794","0.087","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223796","7.6214","0.001","7.6716","0.0011","10.0092","0.0014","112.155","0.003","91.133","0.003","91.574","0.003","541.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(2-bromo)-(quinoline)-mercury)","catena-(bis(2-bromo)-(quinoline)-mercury)","","- C9 H7 Br2 Hg N -","- C9 H7 Br2 Hg N -","- C18 H14 Br4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0512","0.0402","","","0.0943","0.1006","","","","","","1.087","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223797","8.0024","0.0005","8.7714","0.0006","9.5211","0.0006","86.141","0.002","67.909","0.002","71.203","0.002","585.11","0.07","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(quinoline)-di-mercury","","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0629","0.0553","","","0.1415","0.1483","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223798","8.1694","0.0004","9.1306","0.0004","9.9609","0.0005","84.347","0.002","70.877","0.002","77.262","0.002","684.44","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury","","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0257","0.0256","","","0.0677","0.0678","","","","","","1.207","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7235419","9.8043","0.001","9.8043","0.001","7.4487","0.0011","90","","90","","90","","716","0.15","120","2","120","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Cu4 F4 H4 N O12 P4 -","- Cl Cu4 F4 H4 N O12 P4 -","- Cl2 Cu8 F8 H8 N2 O24 P8 -","2","0.125","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.2178","0.1203","","","0.1817","0.2272","","","","","","1.183","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235422","10.6406","0.0005","15.5529","0.0008","16.8867","0.0012","66.629","0.003","87.281","0.004","81.087","0.003","2534.1","0.3","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C101.5 H67 Ag4 B4 Cl11 F16 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0723","0.0476","","","0.1022","0.114","","","","","","1.023","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235423","10.8963","0.0002","13.6018","0.0004","13.9028","0.0004","109.104","0.003","94.569","0.002","109.486","0.002","1793.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C52 H58 Ag4 Cl4 F24 N14 P4 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0377","0.0325","","","0.0859","0.0902","","","","","","1.044","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235425","8.0993","0.0004","9.7117","0.0004","11.2515","0.0005","87.315","0.003","86.505","0.003","68.644","0.002","822.43","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Ag Cl N4 O4 -","- C17 H14 Ag Cl N4 O4 -","- C34 H28 Ag2 Cl2 N8 O8 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0504","0.0358","","","0.0857","0.0923","","","","","","1.039","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235426","8.568","0.0003","26.1905","0.0008","8.6188","0.0002","90","","95.015","0.002","90","","1926.66","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H14 Ag Cl F6 N4 P -","- C17.5 H14 Ag Cl F6 N4 P -","- C70 H56 Ag4 Cl4 F24 N16 P4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0507","0.0381","","","0.0907","0.0977","","","","","","1.078","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235427","23.76695","0.00015","13.12396","0.00009","25.0971","0.00017","90","","102.564","0.0007","90","","7640.75","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C280 H248 Ag16 B16 Cl16 F64 N64 O4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","1.54184","CuKα","","0.0691","0.0586","","","0.1558","0.1671","","","","","","1.042","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235428","7.7294","0.00014","13.2469","0.0002","15.3754","0.0003","78.217","0.0015","81.8669","0.0014","77.2006","0.0015","1495.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Ag B F4 N8 -","- C34 H28 Ag B F4 N8 -","- C68 H56 Ag2 B2 F8 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0336","0.028","","","0.0706","0.0742","","","","","","1.073","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235429","10.113","0.0006","17.5762","0.001","15.6751","0.001","90","","102.831","0.006","90","","2716.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutyl ammonium salt of Naphthyl oxime","","- C27 H45 F N2 O2 -","- C27 H45 F N2 O2 -","- C108 H180 F4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.112","0.0686","","","0.1729","0.2015","","","","","","1.051","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235430","16.2317","0.0007","9.6547","0.0004","20.2299","0.0008","90","","99.931","0.003","90","","3122.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2 4 dihydroxy aromatic aldoxime","","- C30 H49 N3 O6 -","- C30 H49 N3 O6 -","- C120 H196 N12 O24 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.1135","0.0736","","","0.1531","0.1636","","","","","","1.048","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235875","13.464","0.0006","13.6873","0.0006","17.0771","0.0006","107.657","0.004","95.015","0.003","95.481","0.003","2962.5","0.2","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H67 Cl3 N6 O8 -","- C65 H67 Cl3 N6 O8 -","- C130 H134 Cl6 N12 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1178","0.0794","","","0.2113","0.2483","","","","","","1.026","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235876","13.5142","0.0006","14.6744","0.0007","17.3471","0.0007","95.199","0.004","94.142","0.003","110.327","0.004","3192.8","0.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H60 Cl9 D3 N4 O8 -","- C63 H62.998 Cl8.994 N4 O8 -","- C126 H125.996 Cl17.988 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.1888","0.0995","","","0.2709","0.3386","","","","","","1.043","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235877","13.4616","0.0002","14.1115","0.0003","15.8347","0.0004","109.783","0.002","93.681","0.0016","99.7937","0.0016","2765.08","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H72 N4 O11 -","- C63 H72 N4 O11 -","- C126 H144 N8 O22 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","1.54184","CuKα","","0.0593","0.0526","","","0.1444","0.1524","","","","","","1.021","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235878","13.1236","0.0004","32.8276","0.0008","13.3088","0.0004","90","","92.373","0.003","90","","5728.7","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 Cl3 N4 O9 -","- C63 H67 Cl3 N4 O9 -","- C252 H268 Cl12 N16 O36 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1307","0.0815","","","0.2186","0.2609","","","","","","1.035","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235879","13.0454","0.0003","13.7948","0.0005","20.6219","0.0007","88.043","0.003","82.996","0.002","84.693","0.002","3666.6","0.2","170","2","170.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C70 H60 Cl3 D F6 I3 N4 O8 -","- C70 H61 Cl3 F6 I3 N4 O8 -","- C140 H122 Cl6 F12 I6 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0532","0.0397","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235881","17.624","0.0011","11.8156","0.0007","26.146","0.0013","90","","116.317","0.003","90","","4880.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cd2 N9 O13 -","- C50 H45 Cd2 N9 O13 -","- C200 H180 Cd8 N36 O52 -","4","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.0423","0.0345","","","0.0872","0.0919","","","","","","1.02","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235882","21.234","0.009","15.744","0.006","16.213","0.007","90","","113.443","0.004","90","","4973","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cd N2 O9 -","- C23 H28 Cd N2 O9 -","- C184 H224 Cd8 N16 O72 -","8","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.1457","0.0867","","","0.2204","0.2975","","","","","","1.065","","","","has coordinates","233422","2020-10-21","18:00:00",""