# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:42:00+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm / RSC') AND volume = 18 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
"1540663","12.0935","0.0006","34.0051","0.0017","31.9458","0.0016","90","","93.564","0.003","90","","13112","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 O8 Zn2 -","- C44 H40 N8 O8 Zn2 -","- C352 H320 N64 O64 Zn16 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1069","0.0535","","","0.1332","0.1446","","","","","","0.889","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540664","19.5006","0.0005","20.5981","0.0006","18.7188","0.0005","90","","116.064","0.001","90","","6754.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N12 O18 Zn2 -","- C60 H76 N12 O18 Zn2 -","- C240 H304 N48 O72 Zn8 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1227","0.0701","","","0.1779","0.2044","","","","","","1.108","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540666","9.987","0.004","22.605","0.012","17.815","0.006","90","","121.513","0.017","90","","3429","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N4 O4 Zn -","- C37 H35 N4 O4 Zn -","- C148 H140 N16 O16 Zn4 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1547","0.0677","","","0.1388","0.1801","","","","","","1.021","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540667","10.3361","0.0004","20.4349","0.0007","16.2418","0.0005","90","","91.807","0.002","90","","3428.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H81 N9 O13 Zn2 -","- C60 H73 N9 O13 Zn2 -","- C120 H146 N18 O26 Zn4 -","2","0.5","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1281","0.0782","","","0.2376","0.2753","","","","","","1.095","","","","has coordinates","177762","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","177738","2020-10-21","18:00:00",""
"7223177","13.519","0.002","9.896","0.0017","14.609","0.002","90","","112.259","0.003","90","","1808.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0514","0.0432","","","0.114","0.121","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223178","9.097","0.003","17.622","0.005","7.464","0.002","90","","92.337","0.006","90","","1195.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O3 Zn -","- C10 H10 Cl N3 O3 Zn -","- C40 H40 Cl4 N12 O12 Zn4 -","4","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.063","0.0505","","","0.1259","0.1316","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223182","12.946","0.003","17.321","0.003","22.153","0.004","70.13","0.03","76.08","0.03","73.31","0.03","4418.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H54.5 Cd5 Cl4 N19.5 O17.5 -","- C58.5 H46.5 Cd5 Cl4 N19.5 O17.5 -","- C117 H93 Cd10 Cl8 N39 O35 -","2","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0722","0.0545","","","0.1593","0.17","","","","","","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223199","14.916","0.007","14.964","0.007","15.309","0.007","64.365","0.008","89.997","0.008","62.904","0.009","2659","2","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pr_GCl","6-Chloro-9-propyl-purin-2-amine","","- C8 H10 Cl N5 -","- C8 H10 Cl N5 -","- C64 H80 Cl8 N40 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.1766","0.0989","","","0.2552","0.3053","","","","","","0.865","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223200","15.078","0.003","15.132","0.003","21.864","0.004","81.61","0.03","80.08","0.03","89.95","0.03","4859.8","1.7","296","2","296","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pt_GCl","6-Chloro-9-penyl-purin-2-amine","","- C20 H28 Cl2 N10 -","- C20 H28 Cl2 N10 -","- C160 H224 Cl16 N80 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.2303","0.1411","","","0.3251","0.3679","","","","","","0.992","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223242","18.568","0.007","18.0282","0.0019","9.4188","0.0014","90","","90.35","0.03","90","","3152.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2MgTh3(MoO4)8","","- K2 Mg Mo8 O32 Th3 -","- K2 Mg Mo8 O32 Th3 -","- K8 Mg4 Mo32 O128 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0222","0.02","","","0.0426","0.0434","","","","","","1.059","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223243","8.0197","0.001","8.447","0.0017","16.03","0.002","101.55","0.015","102.893","0.012","97.388","0.013","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","K2SrTh2(MoO4)6","","- K2 Mo6 O24 Sr Th2 -","- K2 Mo6 O24 Sr Th2 -","- K4 Mo12 O48 Sr2 Th4 -","2","1","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0893","0.0526","","","0.1129","0.13","","","","","","1.027","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223244","17.556","0.003","17.556","0.003","6.2713","0.001","90","","90","","120","","1673.9","0.5","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Mo18 Nd4 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","1","0.0833333","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0914","0.0414","","","0.1117","0.1435","","","","","","1.14","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223245","18.6792","0.0004","18.0812","0.0005","9.4616","0.0003","90","","90.23","0.002","90","","3195.56","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb2MgTh3(MoO4)8","","- Mg Mo8 O32 Rb2 Th3 -","- Mg Mo8 O32 Rb2 Th3 -","- Mg4 Mo32 O128 Rb8 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0482","0.0342","","","0.0559","0.0611","","","","","","0.996","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223247","22.4577","0.0011","11.3406","0.0005","12.0773","0.0005","90","","113.556","0.003","90","","2819.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cd N2 O6 -","- C13 H10 Cd N2 O6 -","- C104 H80 Cd8 N16 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0266","0.0242","","","0.0613","0.0627","","","","","","1.077","","","","has coordinates,has disorder","185172","2020-10-21","18:00:00",""
"7223263","37.526","0.008","8.8468","0.0018","29.72","0.006","90","","127.61","0.03","90","","7816","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H110 N12 Ni2 O29 -","- C53 H104 N12 Ni2 O29 -","- C212 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0736","0.0668","","","0.1905","0.1966","","","","","","1.158","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223264","37.153","0.003","8.9381","0.0008","29.414","0.003","90","","127.964","0.002","90","","7700.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H110 N12 Ni2 O29 -","- C57 H104 N12 Ni2 O29 -","- C228 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1148","0.0674","","","0.1753","0.2088","","","","","","0.998","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223265","37.352","0.004","8.834","0.001","29.562","0.003","90","","126.838","0.002","90","","7806.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H120 N12 Ni2 O30 -","- C61 H112 N12 Ni2 O30 -","- C244 H448 N48 Ni8 O120 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1384","0.0619","","","0.1278","0.161","","","","","","0.976","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223280","5.4223","0.0003","7.6977","0.0004","25.4353","0.0014","90","","92.75","0.002","90","","1060.43","0.1","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0607","0.0474","","","0.1273","0.137","","","","","","1.047","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223282","5.4385","0.0001","7.5939","0.0002","12.8178","0.0003","106.251","0.001","100.337","0.001","90.203","0.001","499.16","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0383","0.0365","","","0.0969","0.0987","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223283","5.13","0.0003","8.8893","0.0005","11.6782","0.0007","101.426","0.003","97.174","0.003","90.881","0.003","517.47","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0368","0.0346","","","0.0952","0.0976","","","","","","1.042","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223285","9.456","0.003","4.7786","0.0016","24.253","0.008","90","","95.145","0.004","90","","1091.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3-difluorophenyl)-2,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0345","0.0318","","","0.0816","0.0838","","","","","","1.056","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223286","4.9918","0.0002","9.361","0.0005","12.0172","0.0006","102.372","0.002","97.44","0.002","90.222","0.002","543.59","0.05","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-difluorophenyl)-3,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C26 H14 F8 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0516","0.041","","","0.1049","0.1133","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223289","8.8818","0.0007","4.9233","0.0003","24.9499","0.0018","90","","94.162","0.002","90","","1088.13","0.13","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.063","0.0476","","","0.1275","0.1375","","","","","","1.087","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223291","5.4838","0.0002","7.7928","0.0004","12.6887","0.0006","106.682","0.002","98.87","0.001","90.157","0.002","512.57","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(3,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0491","0.0436","","","0.1207","0.1255","","","","","","1.057","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223292","5.1818","0.0016","8.312","0.003","25.739","0.01","90","","93.172","0.011","90","","1106.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0511","0.0411","","","0.1055","0.112","","","","","","1.052","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223293","4.9514","0.0004","8.6873","0.0008","25.517","0.002","90","","91.829","0.003","90","","1097.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.1032","0.0583","","","0.1332","0.153","","","","","","1.057","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223294","10.179","0.01","5.15","0.005","20.053","0.02","90","","103.924","0.012","90","","1020.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0386","0.0352","","","0.0917","0.094","","","","","","1.076","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223306","13.7479","0.0007","13.6207","0.0007","44.742","0.002","90","","98.226","0.002","90","","8292","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cl4 N24 O22 Zn4 -","- C60 H56 Cl4 N24 O20 Zn4 -","- C240 H224 Cl16 N96 O80 Zn16 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1466","0.0716","","","0.1507","0.1675","","","","","","1.039","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223307","13.39","0.0017","29.716","0.004","21.716","0.003","90","","102.996","0.002","90","","8419.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N30 O10 S4 Zn5 -","- C64 H60 N30 O10 S4 Zn5 -","- C256 H240 N120 O40 S16 Zn20 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0622","0.0447","","","0.1103","0.1168","","","","","","1.053","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223308","11.452","0.0003","12.106","0.0004","13.138","0.0004","115.338","0.003","99.128","0.002","104.707","0.001","1516.01","0.1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","1024G","1024G","","- C21 H26 N10 O3 S4 Zn -","- C21 H26 N10 O3 S4 Zn -","- C42 H52 N20 O6 S8 Zn2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1107","0.042","","","0.0945","0.114","","","","","","0.903","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223309","13.9941","0.0009","13.9941","0.0009","35.739","0.003","90","","90","","90","","6998.9","0.9","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H60 N30 Na O16 Zn4 -","- C60 H56 N30 O16 Zn4 -","- C240 H224 N120 O64 Zn16 -","4","0.25","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0723","0.0483","","","0.1263","0.1356","","","","","","0.997","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223326","14.442","0.005","22.524","0.005","21.414","0.005","90","","129.598","0.014","90","","5367","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag4 Mo12 N14 Na O40 P -","- C18 H10 Ag4 Mo12 N14 Na O40 P -","- C72 H40 Ag16 Mo48 N56 Na4 O160 P4 -","4","1","","Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang","The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities","CrystEngComm","2016","18","2","283","","10.1039/C5CE02021B","","","0.71069","MoKα","","0.0717","0.0557","","","0.134","0.1444","","","","","","1.063","","","","has coordinates","175940","2020-10-21","18:00:00",""
"7223327","11.543","0.002","11.603","0.002","12.615","0.002","69.352","0.01","63.37","0.01","78.518","0.012","1411.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H52 Cu2 N6 O14 P2 -","- C54 H52 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0852","0.0573","","","0.1574","0.1685","","","","","","1.014","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223328","11.129","0.003","14.638","0.004","16.334","0.004","90","","90.251","0.01","90","","2660.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N6 O14 P2 -","- C56 H56 Cu2 N6 O14 P2 -","- C112 H112 Cu4 N12 O28 P4 -","2","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0718","0.0398","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223329","11.461","0.003","12.537","0.003","14.271","0.003","111.461","0.011","111.204","0.012","92.332","0.013","1743.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cu N5 O8 P -","- C37 H34 Cu N5 O8 P -","- C74 H68 Cu2 N10 O16 P2 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0726","0.0426","","","0.0975","0.11","","","","","","1.054","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223330","7.2609","0.0007","9.9595","0.001","15.0827","0.0015","73.778","0.005","87.9","0.005","89.707","0.005","1046.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C40 H32 Cu2 N12 O14 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0498","0.0418","","","0.1297","0.1396","","","","","","0.983","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223331","31.662","0.016","8.649","0.004","11.434","0.006","90","","102.53","0.05","90","","3057","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.1302","0.0608","","","0.1529","0.175","","","","","","1.008","","","","has coordinates","175978","2020-10-21","18:00:00",""
"7223332","11.3974","0.0012","11.5337","0.0012","12.5848","0.0013","117.067","0.004","101.07","0.004","101.147","0.004","1369.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H48 Cu2 N6 O14 P2 -","- C54 H48 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0654","0.0564","","","0.1566","0.161","","","","","","1.147","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223333","5.8102","0.0003","23.9645","0.0013","10.9985","0.0005","90","","98.602","0.005","90","","1514.19","0.13","97.3","","97.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F2 N O3 -","- C19 H12 F2 N O3 -","- C76 H48 F8 N4 O12 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0567","0.0444","","","0.0958","0.1032","","","","","","1.044","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223334","4.6752","0.0006","16.257","0.003","19.332","0.005","90","","92.278","0.019","90","","1468.2","0.5","99.3","","99.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O6 -","- C36 H24 Cl2 N2 O6 -","- C72 H48 Cl4 N4 O12 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0803","0.0533","","","0.098","0.1088","","","","","","1.049","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223335","5.7528","0.0005","22.874","0.008","11.463","0.006","90","","97.874","0.019","90","","1494.2","1","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 F4 N2 O2 -","- C36 H22 Br2 F4 N2 O2 -","- C72 H44 Br4 F8 N4 O4 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0561","0.0425","","","0.0886","0.0941","","","","","","1.052","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223337","7.8092","0.0007","12.7602","0.0016","19.323","0.002","97.533","0.01","92.737","0.009","107.448","0.009","1813.3","0.4","99.7","","99.7","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H11 Br4 F16 N O -","- C39 H11 Br4 F16 N O -","- C78 H22 Br8 F32 N2 O2 -","2","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0743","0.0521","","","0.0915","0.0992","","","","","","1.093","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223339","20.633","0.004","20.797","0.004","16.615","0.003","90","","91.842","0.004","90","","7126","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ag4 N8 -","- C36 H36 Ag4 N8 -","- C288 H288 Ag32 N64 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.027","0.0231","","","0.0781","0.0829","","","","","","0.664","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223344","7.65","0.009","7.943","0.008","18.15","0.02","90","","92.26","0.02","90","","1102","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.102","0.0414","","","0.0671","0.0787","","","","","","1.027","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223345","7.9402","0.0007","8.1717","0.0008","8.8975","0.0008","70.343","0.006","89.333","0.006","72.343","0.006","515.42","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0371","0.0324","","","0.1109","0.1193","","","","","","0.87","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223346","4.9838","0.0002","9.8417","0.0004","10.3031","0.0005","100.059","0.003","100.517","0.003","91.372","0.003","488.42","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N2 O3 -","- C11 H9 N2 O3 -","- C22 H18 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0459","0.0391","","","0.1255","0.1339","","","","","","1.039","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223347","5.3961","0.0007","9.4163","0.0013","13.6395","0.0017","75.67","0.009","89.392","0.009","80.448","0.008","661.83","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0733","0.0488","","","0.1315","0.1469","","","","","","1.017","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223348","12.7021","0.0005","5.0401","0.0002","19.1216","0.0008","90","","98.951","0.003","90","","1209.25","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C52 H52 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0678","0.0447","","","0.1249","0.1415","","","","","","1.026","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223349","12.7915","0.0005","5.0009","0.0002","16.4829","0.0007","90","","90.926","0.003","90","","1054.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N2 O3 -","- C12 H11 N2 O3 -","- C48 H44 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0654","0.0436","","","0.126","0.1408","","","","","","1.034","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223350","12.6838","0.0012","5.0451","0.0005","16.3375","0.0016","90","","90.201","0.007","90","","1045.45","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0618","0.0427","","","0.1191","0.1314","","","","","","1.051","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223351","7.8758","0.0007","9.1877","0.001","11.3427","0.0008","112.883","0.008","91.057","0.007","105.877","0.009","720.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Co N O8 -","- C11 H17 Co N O8 -","- C22 H34 Co2 N2 O16 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.0672","0.0446","","","0.0849","0.0954","","","","","","0.992","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223353","27.3644","0.0003","13.4467","0.0001","28.0955","0.0003","90","","94.042","0.001","90","","10312.3","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F3 I3 N6 O2 S2 -","- C50 H54 F3 I3 N6 O2 S2 -","- C400 H432 F24 I24 N48 O16 S16 -","8","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.5418","CuKα","","0.0468","0.0412","","","0.1046","0.1108","","","","","","1.052","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223354","10.4878","0.001","12.3896","0.0011","12.7932","0.0012","78.982","0.008","82.201","0.008","81.597","0.008","1604.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F3 I3 N3 O2 -","- C29 H29 F3 I3 N3 O2 -","- C58 H58 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.1489","0.141","","","0.3318","0.3535","","","","","","1.277","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223355","9.5328","0.0003","11.9482","0.0003","13.9164","0.0003","82.274","0.002","85.796","0.002","87.527","0.002","1565.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 I3 N3 O2 -","- C28 H27 F3 I3 N3 O2 -","- C56 H54 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0593","0.056","","","0.158","0.164","","","","","","1.08","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223356","9.5563","0.0003","11.4823","0.0003","14.152","0.0004","99.118","0.002","92.177","0.002","92.289","0.002","1530.48","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F3 I3 N3 O2 -","- C27 H25 F3 I3 N3 O2 -","- C54 H50 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0374","0.0347","","","0.0879","0.0913","","","","","","1.04","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223357","10.0662","0.0002","14.4987","0.0003","20.6364","0.0005","82.22","0.002","81.567","0.002","89.177","0.002","2951.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F3 I3 N3 O2 -","- C26 H23 F3 I3 N3 O2 -","- C104 H92 F12 I12 N12 O8 -","4","2","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0684","0.0577","","","0.1536","0.1694","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223358","9.0898","0.0005","12.7927","0.0008","13.8531","0.0007","114.273","0.006","98.513","0.005","100.445","0.005","1398.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 I3 N3 O2 -","- C25 H21 F3 I3 N3 O2 -","- C50 H42 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.094","0.0822","","","0.224","0.2568","","","","","","1.037","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223359","13.1874","0.0008","11.9065","0.0008","19.8014","0.0013","90","","100.142","0.002","90","","3060.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu2 N12 O8 -","- C24 H22 Cl2 Cu2 N12 O8 -","- C96 H88 Cl8 Cu8 N48 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0474","0.0359","","","0.0889","0.0964","","","","","","1.035","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223362","13.841","0.0013","8.0261","0.0008","39.946","0.003","90","","96.565","0.004","90","","4408.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cl2 Cu2 N10 O8 -","- C42 H44 Cl2 Cu2 N10 O8 -","- C168 H176 Cl8 Cu8 N40 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.1523","0.0825","","","0.2243","0.2595","","","","","","1.122","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223396","6.4499","0.0003","19.1637","0.0008","8.0685","0.0003","90","","96.557","0.002","90","","990.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesiumcarboxylate","","","- C6 H7 Mg1.5 O7 S -","- C6 H7 Mg1.5 O7 S -","- C24 H28 Mg6 O28 S4 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0564","0.0392","","","0.1014","0.1207","","","","","","1.166","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223397","9.6615","0.0003","10.49","0.0003","11.9404","0.0003","110.295","0.001","91.875","0.001","114.86","0.001","1006.93","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Magnesiumcarboxylate","","","- C14 H4 Mg1.5 N O8 S2 -","- C14 H4 Mg1.5 N O8 S2 -","- C28 H8 Mg3 N2 O16 S4 -","2","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0633","0.0522","","","0.1735","0.1859","","","","","","1.122","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223398","34.681","0.003","15.3678","0.0013","13.7141","0.001","90","","112.169","0.004","90","","6768.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinccarboxylate","","","- C27 H16 N3 O8.5 S2 Zn2 -","- C27 H16 N3 O8.5 S2 Zn2 -","- C216 H128 N24 O68 S16 Zn16 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.074","0.0518","","","0.1851","0.2113","","","","","","1.087","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223399","10.0483","0.0002","13.4969","0.0003","16.7346","0.0004","90","","93.683","0.001","90","","2264.87","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Magnesiumcarboxylate","","","- C18 H18 Mg2 N2 O10 S2 -","- C18 H18 Mg2 N2 O10 S2 -","- C72 H72 Mg8 N8 O40 S8 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0803","0.0511","","","0.1339","0.1471","","","","","","1.039","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223400","13.5642","0.0013","13.5642","0.0013","15.6425","0.0012","90","","90","","90","","2878","0.4","298","2","298","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","Indiumcarboxylate","","","- C7 H2 In0.5 N0.5 O4 S -","- C7 H2 In0.5 N0.5 O4 S -","- C56 H16 In4 N4 O32 S8 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.053","0.0364","","","0.0959","0.1043","","","","","","1.071","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","175952","2020-10-21","18:00:00",""
"7223404","12.3714","0.0003","13.3655","0.0002","37.5272","0.0006","90","","90","","90","","6205.1","0.2","100","2","100","2","","","","","","","","7","P n n n","-P 2ab 2bc","48","","","","- C114 H124 Gd2 N2 O47 P2 S8 -","- C114 H124 Gd2 N2 O47 P2 S8 -","- C228 H248 Gd4 N4 O94 P4 S16 -","2","","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.1218","0.1027","","","0.2818","0.2968","","","","","","1.042","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223405","17.4699","0.0008","18.0265","0.0007","23.3461","0.0009","102.788","0.003","96.123","0.003","118.576","0.004","6099.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C167 H195 N2 O60 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.2438","0.1719","","","0.4089","0.4396","","","","","","1.019","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223406","10.4708","0.0006","10.5478","0.0006","11.0342","0.0006","72.783","0.005","75.786","0.005","70.243","0.005","1081.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I O P -","- C25 H22 I O P -","- C50 H44 I2 O2 P2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.0458","0.0407","","","0.0978","0.1015","","","","","","1","","","","has coordinates","185199","2020-10-21","18:00:00",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223408","10.0525","0.0019","12.081","0.002","11.042","0.002","90","","91.329","0.003","90","","1340.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0209","0.0199","","","0.049","0.0495","","","","","","1.033","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223410","10.0664","0.0017","12.075","0.002","11.0158","0.0019","90","","91.262","0.002","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0409","0.0404","","","0.149","0.1494","","","","","","1.059","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223439","4.5131","0.0008","14.483","0.003","12.622","0.003","90","","97.792","0.009","90","","817.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mn O10 -","- C18 H14 Mn O10 -","- C36 H28 Mn2 O20 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.0593","0.0348","","","0.0737","0.0829","","","","","","1.032","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223440","9.1496","0.0012","9.7908","0.0012","16.078","0.002","89.207","0.002","76.087","0.002","74.643","0.002","1346.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","1","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0538","0.0453","","","0.1204","0.126","","","","","","1.041","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223456","14.861","0.003","14.142","0.003","22.798","0.005","90","","106.37","0.03","90","","4597.1","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H46 As8 N18 Ni5 O43 V14 -","- C48 H36 As8 N18 Ni5 O43 V14 -","- C96 H72 As16 N36 Ni10 O86 V28 -","2","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1144","0.074","","","0.1909","0.2334","","","","","","1.004","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223460","11.5263","0.0009","15.2606","0.0011","15.8895","0.0012","106.238","0.001","95.372","0.001","102.466","0.001","2584.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0801","0.0543","","","0.1548","0.1751","","","","","","1.073","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223461","12.541","0.002","12.565","0.002","14.238","0.003","83.592","0.002","79.184","0.003","81.137","0.002","2169.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1087","0.0967","","","0.2365","0.2426","","","","","","1.018","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223462","11.6254","0.0003","14.4554","0.0004","14.651","0.0004","99.363","0.002","97.293","0.002","91.069","0.002","2407.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1005","0.0714","","","0.2029","0.2307","","","","","","1.024","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223463","14.4313","0.0005","13.2244","0.0006","7.5812","0.0003","90","","93.883","0.003","90","","1443.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cu2.5 N7 -","- C13 H13 Cu2.5 N7 -","- C52 H52 Cu10 N28 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.0814","0.0364","","","0.0761","0.0915","","","","","","0.993","","","","has coordinates","175953","2020-10-21","18:00:00",""
"7223464","7.3329","0.0003","18.6223","0.0007","14.8934","0.0006","90","","101.642","0.002","90","","1991.94","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu3 N10 O -","- C14 H17 Cu3 N10 O -","- C56 H68 Cu12 N40 O4 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.1072","0.0536","","","0.1247","0.1476","","","","","","1.005","","","","has coordinates,has disorder","175953","2020-10-21","18:00:00",""
"7223470","8.785","0.006","20.81","0.014","34.48","0.02","90","","90","","90","","6303","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0449","0.0305","","0.0643","0.0594","0.0643","","","","","","0.9995","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223471","8.798","0.002","20.865","0.004","34.551","0.006","90","","90","","90","","6343","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0805","0.0491","","0.1114","0.0959","0.1114","","","","","","0.9315","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223472","8.7007","0.0013","34.271","0.003","11.0753","0.0012","90","","111.047","0.009","90","","3082.1","0.7","293","","293","","","","170000","","","","","4","C 1 2/c 1","-C 2yc","15","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12.56 H6 O7.125 Sc -","- C12 H6 O6 Sc -","- C96 H48 O48 Sc8 -","8","1","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","x-ray","0.71073","MoKα","","0.1632","0.1213","","0.3286","0.2927","0.3286","","","","","","0.9725","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223489","14.7523","0.0014","14.7794","0.0014","27.291","0.003","76.78","0.001","86.843","0.001","60.318","0.001","5020.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Ag5 I7 Mn N6 -","- C36 H24 Ag5 I7 Mn N6 -","- C144 H96 Ag20 I28 Mn4 N24 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0883","0.052","","","0.1453","0.1623","","","","","","1.045","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223490","11.396","0.0014","18.948","0.002","23.015","0.003","100.441","0.001","94.951","0.001","100.227","0.001","4773.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 Ag14 I22 N8 -","- C48 H56 Ag14 I22 N8 -","- C96 H112 Ag28 I44 N16 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0627","0.0399","","","0.0915","0.1003","","","","","","1.023","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223492","10.3503","0.0004","10.3933","0.0004","15.1733","0.0006","76.113","0.004","75.04","0.004","62.687","0.004","1387","0.11","180","0.1","180","1","","","","","","","","3","P -1","-P 1","2","CMF-2","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu2 Mo14 O48 -","2","1","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0478","0.0362","","","0.0821","0.0876","","","","","","1.011","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223504","19.953","0.007","9.495","0.004","25.805","0.01","90","","91.915","0.012","90","","4886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H79 N5 O28 Zn6 -","- C98 H79 N5 O28 Zn6 -","- C196 H158 N10 O56 Zn12 -","2","0.25","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.1493","0.0917","","","0.2528","0.2937","","","","","","1.047","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223506","13.4199","0.0005","19.4201","0.0007","20.7033","0.0015","88.22","0.006","85.02","0.006","84.859","0.006","5352.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0603","0.048","","","0.1253","0.1312","","","","","","1.112","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223507","18.0377","0.0013","18.3422","0.0013","29.9","0.002","71.347","0.002","71.67","0.002","67.774","0.002","8462.6","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 N4 Ni4 O22 -","- C78.5 H78 N4 Ni4 O18.5 -","- C314 H312 N16 Ni16 O74 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0845","0.0643","","","0.175","0.1896","","","","","","1.049","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223508","12.1956","0.00019","19.3817","0.0006","20.2019","0.0007","90","","98.464","0.002","90","","4723.1","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C184 H224 Cl4 Dy4 N8 Ni4 O60 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0451","0.0322","","","0.0687","0.0755","","","","","","1.053","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223509","15.0768","0.0005","20.6499","0.0005","17.8256","0.0008","90","","103.01","0.004","90","","5407.3","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C212 H244 Cl4 Dy4 N20 Ni4 O56 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0491","0.0362","","","0.0816","0.0908","","","","","","1.065","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223510","10.4776","0.0004","21.3408","0.0008","14.3681","0.0005","90","","106.977","0.004","90","","3072.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N4 Ni2 O18 -","- C62 H58 Dy2 N4 Ni2 O18 -","- C124 H116 Dy4 N8 Ni4 O36 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","1.54184","CuKα","","0.0899","0.0666","","","0.1672","0.1837","","","","","","0.99","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223511","13.149","0.0009","13.62","0.001","15.4701","0.0011","68.869","0.005","65.65","0.004","63.614","0.004","2207.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0859","0.0745","","","0.1889","0.1971","","","","","","1.078","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223512","12.7821","0.0009","13.5743","0.001","14.1583","0.001","106.94","0.003","91.065","0.002","97.754","0.002","2324.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0469","0.0427","","","0.1152","0.1197","","","","","","1.047","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223513","16.5657","0.0012","17.6842","0.0012","18.4698","0.0013","81.572","0.002","80.148","0.002","83.02","0.002","5247.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Dy3 N24 O60 -","- C81 H69 Dy3 N24 O60 -","- C162 H138 Dy6 N48 O120 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.036","0.0314","","","0.0764","0.0797","","","","","","1.05","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223514","14.1586","0.0006","17.259","0.0007","22.3936","0.0008","98.527","0.003","98.268","0.003","111.403","0.004","4920.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0618","0.0425","","","0.0968","0.1096","","","","","","1.053","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223515","6.9697","0.0004","12.6645","0.0007","15.0866","0.0008","76.153","0.005","89.966","0.005","88.423","0.005","1292.45","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O5 -","- C14 H11 Cl N2 O5 -","- C56 H44 Cl4 N8 O20 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","1.54184","CuKα","","0.0593","0.0493","","","0.1324","0.1451","","","","","","1.054","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223516","7.5662","0.0004","8.5456","0.0004","14.8304","0.0008","84.747","0.004","84.775","0.004","82.09","0.004","942.79","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.0719","0.0768","","","","","","1.049","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223517","18.8624","0.0005","17.03","0.0004","25.6461","0.0018","90","","108.353","0.008","90","","7819.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co N5 O12 -","- C36 H44 Co N5 O12 -","- C288 H352 Co8 N40 O96 -","8","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.1216","0.0855","","","0.2181","0.2379","","","","","","1.054","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223518","13.059","0.0008","22.7258","0.0011","15.4472","0.0013","90","","109.616","0.008","90","","4318.3","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br2 Co N3 O9 -","- C45 H52 Br2 Co N3 O9 -","- C180 H208 Br8 Co4 N12 O36 -","4","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.1023","0.059","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223519","22.1776","0.0015","18.894","0.0011","27.8333","0.0011","90","","100.127","0.004","90","","11481.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C482 H460 Cl20 Dy8 N16 Ni8 O80 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1828","0.1138","","","0.2803","0.3192","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223520","12.5403","0.0007","14.7915","0.001","18.88","0.002","100.291","0.008","106.198","0.007","105.143","0.005","3124.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0524","0.0437","","","0.107","0.1165","","","","","","1.083","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223521","20.462","0.0007","20.8069","0.0007","27.3553","0.0007","90","","98.444","0.003","90","","11520.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H114 Br6 Dy2 N4 Ni2 O26 -","- C108 H102 Br6 Dy2 N4 Ni2 O24 -","- C432 H408 Br24 Dy8 N16 Ni8 O96 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.0746","0.0501","","","0.131","0.1431","","","","","","1.018","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223523","15.8855","0.0006","17.2105","0.0011","20.5903","0.0011","90","","96.747","0.004","90","","5590.3","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C204 H220 Cl4 Dy4 N20 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.1115","0.122","","","","","","1.075","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223524","12.1724","0.0012","14.1352","0.0015","19.123","0.002","90","","99.425","0.011","90","","3245.9","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C128 H144 Cl4 Dy4 N8 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1319","0.065","","","0.0947","0.13","","","","","","0.872","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223525","16.6632","0.0004","18.8674","0.0003","15.7017","0.0003","90","","109.993","0.003","90","","4638.98","0.18","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0501","0.0382","","","0.0885","0.0976","","","","","","1.039","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223526","10.947","0.002","11.0433","0.0016","17.924","0.004","99.305","0.015","96.75","0.017","90.261","0.013","2122.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Co3 N6 O12 S3 -","- C42 H30 Co3 N6 O12 S3 -","- C84 H60 Co6 N12 O24 S6 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.3281","0.2028","","","0.4767","0.5315","","","","","","1.164","","","","has coordinates","175954","2020-10-21","18:00:00",""
"7223527","10.6132","0.0005","13.4256","0.0007","17.8366","0.0012","78.86","0.005","76.42","0.005","72.302","0.004","2333.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0796","0.0623","","","0.1531","0.1623","","","","","","1.068","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223528","10.5028","0.0002","13.3758","0.0003","17.9703","0.0003","78.0998","0.0015","75.4371","0.0016","71.7708","0.0018","2298.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0417","0.0361","","","0.0942","0.0976","","","","","","1.051","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223529","26.232","0.007","26.232","0.007","26.232","0.007","90","","90","","90","","18051","8","298","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C92 H168 Cu12 Mo N5 O130 Si W11 -","- C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004 -","- C320 H192.019 Cu48 Mo3.9984 N8 O424 Si4 W44.0016 -","4","0.0208333","","Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei","The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity","CrystEngComm","2016","18","4","596","","10.1039/C5CE02074C","","","0.71073","MoKα","","0.0801","0.0635","","","0.2109","0.233","","","","","","1.09","","","","has coordinates,has disorder","175949","2020-10-21","18:00:00",""
"7223540","9.1586","0.0007","9.5032","0.0007","13.9208","0.0008","95.383","0.003","91.851","0.002","107.7","0.004","1146.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 N4 O13.50 Sm","","","- C15 H24 N4 O13.5 Sm -","- C15 H13 N4 O13.5 Sm -","- C30 H26 N8 O27 Sm2 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0356","0.0307","","","0.073","0.0747","","","","","","1.001","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223541","9.1406","0.0009","9.4909","0.001","13.9426","0.0012","95.29","0.004","91.86","0.004","107.708","0.004","1145","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Eu N4 O13.50","","","- C15 H24 Eu N4 O13.5 -","- C15 H13 Eu N4 O13.5 -","- C30 H26 Eu2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0411","0.038","","","0.1006","0.1033","","","","","","1.057","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223542","9.0892","0.0004","9.4506","0.0006","13.922","0.0007","95.202","0.004","91.845","0.004","107.559","0.004","1133.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Gd N4 O13.50","","","- C15 H24 Gd N4 O13.5 -","- C15 H13 Gd N4 O13.5 -","- C30 H26 Gd2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.038","0.0338","","","0.0822","0.0853","","","","","","1.003","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223543","9.117","0.002","9.474","0.002","13.956","0.003","95.423","0.005","91.643","0.004","107.538","0.005","1142.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C15 H24 N4 O13.50 Eu0.12 Gd0.88","","","- C15 H24 Eu0.12 Gd0.88 N4 O13.5 -","- C15 H13 Eu0.12 Gd0.88 N4 O13.5 -","- C30 H26 Eu0.24 Gd1.76 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0619","0.0633","","","","","","1.044","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223544","11.8801","0.0011","13.7323","0.0017","13.9872","0.0019","84.567","0.011","79.104","0.009","79.225","0.009","2197.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 O13 Zn -","- C54 H36 N4 O13 Zn -","- C108 H72 N8 O26 Zn2 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1717","0.077","","","0.1251","0.1885","","","","","","1.015","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223545","8.0674","0.001","9.264","0.0015","13.4563","0.0018","72.758","0.013","83.095","0.011","82.579","0.012","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1322","0.0791","","","0.1877","0.2333","","","","","","1.032","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223546","8.0767","0.0004","9.4789","0.0008","13.3988","0.0011","73.886","0.007","83.844","0.005","80.81","0.006","970.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1015","0.0597","","","0.1188","0.1428","","","","","","1.061","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223549","20.505","0.002","10.3482","0.0009","29.521","0.004","90","","113.518","0.015","90","","5743.7","1.3","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 N4 Ni3 O16 -","- C49 H42 N4 Ni3 O16 -","- C196 H168 N16 Ni12 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1558","0.0837","","","0.1803","0.2257","","","","","","0.933","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223550","20.6","0.005","10.4271","0.0011","29.646","0.005","90","","113.51","0.02","90","","5839","2","297.16","0.1","297.16","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Co3 N6 O16 -","- C60 H52 Co3 N6 O16 -","- C240 H208 Co12 N24 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1608","0.0829","","","0.168","0.2278","","","","","","1.041","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223551","12.058","0.0007","12.3182","0.0006","15.3976","0.0008","67.945","0.005","88.887","0.004","80.778","0.004","2090.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Co3.5 N2 O17 -","- C40 H33 Co3.5 N2 O17 -","- C80 H66 Co7 N4 O34 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1173","0.0704","","","0.1741","0.2193","","","","","","1.022","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223552","13.48481","0.00014","12.1638","0.00014","17.6457","0.0002","90","","95.1954","0.001","90","","2882.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O14 Pb3 -","- C30 H18 O14 Pb3 -","- C120 H72 O56 Pb12 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","1.54184","CuKα","","0.0432","0.0287","","","0.0493","0.052","","","","","","0.965","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223579","15.2164","0.0012","13.1809","0.001","29.309","0.002","90","","92.577","0.003","90","","5872.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N8 O5 S4 -","- C60 H70 N8 O5 S4 -","- C240 H280 N32 O20 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1732","0.1114","","","0.2497","0.2668","","","","","","1.124","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223580","26.6378","0.0006","12.7707","0.0003","19.6019","0.0004","90","","115.002","0.001","90","","6043.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 N8 S8 -","- C60 H72 N8 S8 -","- C240 H288 N32 S32 -","4","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.068","0.0479","","","0.1393","0.1568","","","","","","1.004","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223581","18.8461","0.0013","19.0515","0.0011","19.1473","0.001","99.994","0.003","113.12","0.002","115.126","0.0017","5224.5","0.6","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","1","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.099","0.0713","","","0.2203","0.2441","","","","","","1.08","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223582","36.0428","0.001","12.4438","0.0003","20.2117","0.0007","90","","121.056","0.0017","90","","7765.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ag N5 O4 S4 -","- C34 H46 Ag N5 O4 S4 -","- C272 H368 Ag8 N40 O32 S32 -","8","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0819","0.0573","","","0.1489","0.165","","","","","","1.048","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223583","15.6888","0.0004","17.4322","0.0005","17.6605","0.0005","80.598","0.001","76.588","0.001","71.025","0.001","4422.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C132 H164 Ag4 Cl12 F24 N16 S16 Sb4 -","2","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0973","0.0646","","","0.1905","0.2215","","","","","","1.034","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223588","16.8948","0.0003","14.6737","0.0003","30.1055","0.0006","90","","90.706","0.001","90","","7462.9","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C276 H356 Ag4 Cl12 F24 N32 O16 S16 Sb4 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0806","0.0591","","","0.1543","0.1704","","","","","","1.023","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223590","34.813","0.003","20.6402","0.0019","16.304","0.0015","90","","102.678","0.001","90","","11429.6","1.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cageAg3PF6","","","- C110 H140 Ag3 F18 N12 O12 P3 -","- C102 H124 Ag3 F18 N12 O8 P3 -","- C408 H496 Ag12 F72 N48 O32 P12 -","4","1","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","0.71073","MoKα","","0.1336","0.0707","","","0.1916","0.2158","","","","","","0.959","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223591","19.0224","0.0007","15.7764","0.0007","38.4287","0.0015","90","","102.187","0.002","90","","11272.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag0.4 F2.4 N1.73 O0.53 P0.4 -","- C16 H16 Ag0.4 F2.4 N1.73333 O0.533333 P0.4 -","- C480 H480 Ag12 F72 N52 O16 P12 -","30","7.5","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","1.54178","CuKα","","0.0719","0.0532","","","0.1322","0.1438","","","","","","1.009","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","175968","2020-10-21","18:00:00",""
"7223597","10.8729","0.0004","13.4826","0.0005","14.3867","0.0005","87.715","0.001","69.113","0.001","72.445","0.001","1873.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0341","0.028","","","0.0746","0.0772","","","","","","1.048","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223598","9.9421","0.0005","10.2311","0.0005","11.0928","0.0005","84.353","0.001","89.574","0.001","88.018","0.001","1122.19","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu Mo4 N3 O17 -","- C12 H8 Cu Mo4 N3 O17 -","- C24 H16 Cu2 Mo8 N6 O34 -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0282","0.0243","","","0.0637","0.0654","","","","","","1.064","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223599","12.1956","0.0009","12.8736","0.001","14.2679","0.0011","81.879","0.002","71.871","0.001","76.485","0.001","2064.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0384","0.0306","","","0.0791","0.0823","","","","","","1.046","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223614","8.3971","0.0002","8.3248","0.0003","9.1806","0.0003","90","","91.672","0.003","90","","641.49","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","0.71073","MoKα","","0.0313","0.0278","","","0.0692","0.0724","","","","","","1.072","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223615","12.4821","0.0003","15.644","0.0005","23.8049","0.0007","95.809","0.003","99.751","0.002","106.037","0.002","4348.9","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H58 I N O12 -","- C45 H58 I N O12 -","- C180 H232 I4 N4 O48 -","4","2","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","1.54184","CuKα","","0.1009","0.0722","","","0.1809","0.2095","","","","","","1.04","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223616","12.559","0.003","24.734","0.005","14.682","0.003","90","","90.28","0.03","90","","4560.7","1.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N2 O10 -","- C52 H62 N2 O10 -","- C208 H248 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1197","0.0624","","","0.1372","0.1622","","","","","","1.014","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223617","11.929","0.002","12.698","0.003","17.705","0.004","76.17","0.03","75.84","0.03","84.38","0.03","2522.8","1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1659","0.0979","","","0.2502","0.2987","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223618","9.136","0.0018","11.097","0.002","22.784","0.005","92.12","0.03","96.27","0.03","103.65","0.03","2226.5","0.8","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N O12 -","- C48 H63 N O12 -","- C96 H126 N2 O24 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.0733","0.0534","","","0.1222","0.133","","","","","","1.023","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223619","12.672","0.003","24.549","0.005","16.932","0.003","90","","103.57","0.03","90","","5120.2","1.9","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 O14 -","- C52 H78 N2 O14 -","- C208 H312 N8 O56 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1217","0.0743","","","0.1897","0.2168","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223621","9.706","0.0008","9.8389","0.0009","20.4971","0.0018","91.899","0.001","92.021","0.001","109.147","0.002","1845.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Co N4 O8 -","- C46 H32 Co N4 O8 -","- C92 H64 Co2 N8 O16 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1126","0.0472","","","0.0755","0.0853","","","","","","0.9893","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223622","9.2805","0.0007","10.7128","0.0008","17.9162","0.0015","103.41","0.002","102.141","0.002","94.265","0.001","1679.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co2 N4 O9 -","- C38 H32 Co2 N4 O9 -","- C76 H64 Co4 N8 O18 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0987","0.0523","","","0.0769","0.0839","","","","","","0.984","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223623","6.615","0.0005","10.2951","0.0009","14.1409","0.0012","111.3","0.002","92.619","0.001","96.173","0.001","888.3","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0721","0.0531","","","0.1251","0.1368","","","","","","0.9988","","","","has coordinates,has disorder","175956","2020-10-21","18:00:00",""
"7223624","9.3587","0.0007","9.74","0.0008","10.5441","0.0009","68.781","0.001","64.02","0.001","88.873","0.002","794.29","0.11","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0702","0.0509","","","0.0898","0.1034","","","","","","1.046","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223625","8.952","0.0007","10.1019","0.0009","10.887","0.002","90.87","0.001","104.28","0.001","111.042","0.002","884.61","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 Ni O4 -","- C19 H15 N2 Ni O4 -","- C38 H30 N4 Ni2 O8 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1491","0.0862","","","0.1758","0.1906","","","","","","0.996","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223626","8.051","0.0008","10.0389","0.0009","18.4301","0.0015","87.918","0.002","79.934","0.001","87.256","0.002","1464.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O10 -","- C34 H26 Cd N2 O10 -","- C68 H52 Cd2 N4 O20 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1118","0.0983","","","0.2609","0.2766","","","","","","1.079","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223627","11.105","0.0011","19.2931","0.0016","15.0216","0.0011","90","","125.643","0.005","90","","2615.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N2 O10 -","- C30 H20 Cd2 N2 O10 -","- C120 H80 Cd8 N8 O40 -","4","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1531","0.081","","","0.1595","0.1776","","","","","","1.028","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223636","8.8422","0.0014","20.71","0.004","18.256","0.003","90","","111.944","0.01","90","","3100.9","1","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Eu N4 O10 -","- C34 H26 Br Eu N4 O10 -","- C136 H104 Br4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1052","0.0492","","","0.077","0.0917","","","","","","0.964","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223637","8.8847","0.0013","20.515","0.003","18.2437","0.0018","90","","111.624","0.005","90","","3091.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C136 H104 Br2 Cl2 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0865","0.0562","","","0.1379","0.1564","","","","","","1.066","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223638","8.8828","0.0008","20.4075","0.0016","18.1897","0.0015","90","","111.389","0.005","90","","3070.2","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Eu N4 O10 -","- C34 H26 Cl Eu N4 O10 -","- C136 H104 Cl4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1571","0.0762","","","0.1439","0.1777","","","","","","1.013","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223639","8.86","0.005","20.463","0.011","18.141","0.008","90","","111.41","0.02","90","","3062","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N4 O10 Tb -","- C34 H26 Cl N4 O10 Tb -","- C136 H104 Cl4 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0632","0.0404","","","0.0863","0.0949","","","","","","1.026","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223640","8.844","0.0012","20.509","0.003","18.1951","0.0018","90","","111.645","0.005","90","","3067.5","0.7","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C136 H104 Br2 Cl2 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0585","0.0459","","","0.1228","0.132","","","","","","1.059","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223641","23.6157","0.0017","9.9206","0.0007","27.2126","0.0017","90","","96.51","0.004","90","","6334.3","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N4 O10 Tb -","- C34 H26 Br N4 O10 Tb -","- C272 H208 Br8 N32 O80 Tb8 -","8","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0628","0.035","","","0.0643","0.0734","","","","","","0.999","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223642","8.8072","0.0006","20.3895","0.0018","18.0976","0.0018","90","","110.985","0.007","90","","3034.3","0.5","295.06","0.1","295.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Gd N4 O10 -","- C34 H26 Cl Gd N4 O10 -","- C136 H104 Cl4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71073","MoKα","","0.0916","0.0654","","","0.151","0.1694","","","","","","1.092","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223643","8.7794","0.0004","20.4692","0.0008","18.1663","0.0007","90","","111.26","0.004","90","","3042.4","0.2","295.06","0.1","295.06","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C136 H104 Br2 Cl2 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71","MoKα","","0.0803","0.0585","","","0.1326","0.153","","","","","","1.051","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223644","8.865","0.013","20.83","0.03","18.31","0.03","90","","111.81","0.06","90","","3139","8","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Gd N4 O10 -","- C34 H26 Br Gd N4 O10 -","- C136 H104 Br4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0864","0.0478","","","0.1003","0.1174","","","","","","1.009","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223645","9.8308","0.0005","12.7386","0.0005","14.0472","0.0006","80.597","0.004","84.851","0.004","88.345","0.004","1728.32","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N16 O Zn3 -","- C28 H20 Cl4 N16 O Zn3 -","- C56 H40 Cl8 N32 O2 Zn6 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1083","0.0575","","","0.0753","0.0917","","","","","","0.973","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223649","13.269","0.002","15.3212","0.0014","9.0739","0.0011","90","","94.921","0.016","90","","1837.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cd2 N8 O -","- C14 H10 Br2 Cd2 N8 O -","- C56 H40 Br8 Cd8 N32 O4 -","4","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1191","0.0648","","","0.1381","0.1686","","","","","","1.028","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223650","7.5634","0.0004","10.2048","0.0004","14.7545","0.0007","77.097","0.004","84.449","0.004","88.279","0.004","1104.79","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd2 I4 N8 -","- C14 H10 Cd2 I4 N8 -","- C28 H20 Cd4 I8 N16 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0658","0.055","","","0.1465","0.1563","","","","","","1.044","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223651","16.0033","0.0007","11.5923","0.0005","22.053","0.001","90","","94.549","0.002","90","","4078.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 O28 S8 -","- C72 H96 O28 S8 -","- C144 H192 O56 S16 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1084","0.0705","","","0.1585","0.1818","","","","","","1.024","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223652","13.312","0.0003","17.0039","0.0004","22.7649","0.0005","105.34","0.001","102.612","0.001","106.369","0.001","4522.76","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 O30 S14 -","- C56 H36 O16 -","- C112 H72 O32 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1907","0.1669","","","0.5569","0.5766","","","","","","2.49","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223653","10.3128","0.0004","13.6528","0.0005","15.1819","0.0006","113.311","0.002","105.47","0.002","95.699","0.002","1840.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0731","0.0433","","","0.0907","0.1018","","","","","","1.019","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223654","13.9805","0.0014","16.3367","0.0016","24.278","0.002","77.851","0.001","73.707","0.001","73.719","0.001","5056.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1706","0.0721","","","0.2033","0.2652","","","","","","1.074","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223655","13.5643","0.001","14.1911","0.0011","15.9372","0.0012","110.429","0.004","109.634","0.004","92.886","0.005","2658.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1214","0.0744","","","0.1725","0.1928","","","","","","1.02","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223656","12.9732","0.0018","14.665","0.002","15.949","0.002","97.687","0.002","112.271","0.002","98.894","0.002","2712.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1176","0.0996","","","0.2633","0.2742","","","","","","1.103","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223657","12.3525","0.0006","13.8124","0.0008","15.0196","0.0008","112.326","0.002","112.595","0.002","93.556","0.002","2122.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1651","0.135","","","0.4052","0.4342","","","","","","1.828","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223658","10.6715","0.0003","16.8763","0.0005","24.6079","0.0007","97.9","0.001","102.264","0.001","99.408","0.001","4203.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1385","0.1296","","","0.2455","0.2491","","","","","","1.086","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223659","12.5293","0.0012","13.2447","0.0012","13.6375","0.0013","112.439","0.001","109.559","0.001","92.935","0.001","1929","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0605","0.0409","","","0.0954","0.1045","","","","","","1.032","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223660","13.6701","0.0002","16.5031","0.0003","21.1363","0.0003","90","","99.896","0.001","90","","4697.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 O24 S12 -","- C80 H120 O24 S12 -","- C160 H240 O48 S24 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1532","0.1465","","","0.4846","0.4988","","","","","","2.554","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223661","13.887","0.002","15.638","0.002","23.205","0.003","99.446","0.002","101.639","0.002","114.753","0.002","4303.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1307","0.0655","","","0.1579","0.1962","","","","","","1.022","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223662","12.108","0.0012","13.5922","0.0013","26.446","0.003","88.602","0.001","85.738","0.001","83.463","0.001","4311.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H112 O20 S8 -","- C80 H112 O20 S8 -","- C160 H224 O40 S16 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0995","0.051","","","0.1027","0.1204","","","","","","1.021","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223663","13.065","0.0003","14.1576","0.0003","15.2003","0.0003","72.404","0.001","76.963","0.001","75.955","0.001","2564.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.0618","0.0574","","","0.1696","0.1747","","","","","","1.054","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223717","12.135","0.015","3.979","0.005","18.38","0.02","90","","91.4","0.03","90","","887.2","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalaldehydic acid cyclised isomer 15.","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0597","0.0424","","","0.1017","0.1102","","","","","","0.97","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223718","14.953","0.002","5.0185","0.0006","12.3691","0.0019","90","","100.389","0.013","90","","913","0.2","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium naphthalaldehydate Li.14","","- C12 H7 Li O3 -","- C12 H7 Li O3 -","- C48 H28 Li4 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.1705","0.1629","","","0.4689","0.4719","","","","","","1.193","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","175958","2020-10-21","18:00:00",""
"7223722","9.0149","0.0005","9.7808","0.0005","18.7439","0.0011","90","","102.981","0.005","90","","1610.47","0.16","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetramethylguanidinium naphthalaldehydate,(Me2N)2CNH2.15","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0691","0.0527","","","0.1008","0.1069","","","","","","1.154","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223723","15.3271","0.0004","8.3575","0.0003","20.696","0.0006","90","","105.966","0.003","90","","2548.81","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-dimethylaminopyridium naphthalaldehydate.naphthalaldehydic acidDMAP.14.15","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0806","0.0626","","","0.1327","0.1414","","","","","","1.098","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223724","8.6","0.0004","8.6685","0.0004","9.647","0.0006","101.959","0.007","106.112","0.008","105.087","0.007","636.12","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Morpholinyl)-1H,3H-naphtho[1,8-cd]pyran-1-one, A","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0403","0.0363","","","0.102","0.1047","","","","","","1.073","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223726","4.439","0.0009","11.98","0.002","17.852","0.004","90","","94.04","0.03","90","","947","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cl N5 -","- C7 H12 Cl N5 -","- C28 H48 Cl4 N20 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","Synchrotron","","0.0455","0.0437","","","0.128","0.1304","","","","","","1.06","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223728","11.908","0.003","19.374","0.007","15.441","0.005","90","","105.86","0.02","90","","3426.7","1.9","150","2","150.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl10 N10 -","- C20 H32 Cl10 N10 -","- C80 H128 Cl40 N40 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.2937","0.1058","","","0.2634","0.3773","","","","","","0.981","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223729","14.8405","0.0006","10.2671","0.0004","20.6587","0.0009","90","","110.219","0.001","90","","2953.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Phloroglucinol Hydrate","","- C29 H33 Cl2 N3 O6 -","- C29 H33 Cl2 N3 O6 -","- C116 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0824","0.073","","","0.2054","0.2151","","","","","","1.08","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223730","14.7282","0.0012","9.882","0.0008","20.8815","0.0014","90","","111.174","0.005","90","","2834","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Resorcinol","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C116 H132 Cl8 N12 O16 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0421","0.0363","","","0.1021","0.1075","","","","","","1.026","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223731","14.7513","0.0016","9.9206","0.0011","20.9131","0.0017","90","","111.104","0.006","90","","2855.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Catechol Hydrate","","- C29 H33 Cl2 N3 O4.29 -","- C29 H33 Cl2 N3 O4.293 -","- C116 H132 Cl8 N12 O17.172 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0781","0.0648","","","0.156","0.1647","","","","","","1.124","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223732","6.9061","0.0008","9.4544","0.0011","22.484","0.003","96.056","0.002","95.355","0.002","100.696","0.002","1424.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1:1 cocrystal of Aripiprazole and Hydroquinone","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C58 H66 Cl4 N6 O8 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0827","0.0493","","","0.1177","0.1348","","","","","","1.016","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223733","14.7016","0.0011","9.9378","0.0007","20.9827","0.0012","90","","111.121","0.004","90","","2859.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Pyrograllol Hydrate","","- C29 H33 Cl2 N3 O5.26 -","- C29 H33 Cl2 N3 O5.256 -","- C116 H132 Cl8 N12 O21.024 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0375","0.0335","","","0.0935","0.0977","","","","","","1.03","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223734","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223735","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223736","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223737","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223738","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223739","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223740","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223741","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; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223750","28.281","0.004","20.849","0.003","30.699","0.004","90","","90.994","0.009","90","","18098","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CalciumMOF","","","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C580 H436 Ca28 N20 O184 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.2647","0.125","","","0.2347","0.2952","","","","","","0.943","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223751","18.2197","0.0011","31.5978","0.0017","29.862","0.002","90","","101.311","0.003","90","","16857.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","strontiumMOF","","","- C56 H43 N O14.5 Sr2.5 -","- C56 H43 N O14.5 Sr2.5 -","- C448 H344 N8 O116 Sr20 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.1587","0.0809","","","0.186","0.2169","","","","","","1.008","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223753","18.9997","0.0007","9.4546","0.0003","7.4275","0.0003","90","","95.743","0.004","90","","1327.54","0.08","120","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 anthraquinone-dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.7107","MoKα","","0.0621","0.0441","","","0.1075","0.1193","","","","","","1.038","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223754","19.0868","0.0008","9.4849","0.0004","7.4588","0.0003","90","","94.757","0.004","90","","1345.66","0.1","302.3","0.6","302.3","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinone dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0375","0.034","","","0.0939","0.0974","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223755","8.0799","0.0002","10.6463","0.0002","14.6639","0.0003","90","","102.507","0.002","90","","1231.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinonedicarboxylate","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.035","0.0327","","","0.0912","0.0938","","","","","","1.093","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223756","8.1681","0.0004","10.6558","0.0005","14.7002","0.0007","90","","101.68","0.005","90","","1252.98","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.0403","0.0349","","","0.0938","0.0993","","","","","","1.036","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223757","8.0703","0.0003","5.1497","0.0002","14.7759","0.0005","90","","95.073","0.003","90","","611.68","0.04","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium 1,5-dihydroxyanthraquinone","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C28 H20 Li4 O12 -","2","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0305","0.0294","","","0.0804","0.0812","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223758","8.0719","0.0003","5.1821","0.0002","14.8188","0.0005","90","","94.926","0.003","90","","617.57","0.04","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C28 H20 Li4 O12 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0368","0.034","","","0.0992","0.1017","","","","","","1.097","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223765","5.0112","0.0002","7.5031","0.0004","21.0358","0.0008","97.619","0.004","91.892","0.004","108.338","0.005","741.79","0.06","121","3","121","3","","","","","","","","4","P -1","-P 1","2","","1,5-dihydroxyanthraquinone lithium salt","","- C14 H16 Li2 O9 -","- C14 H16 Li2 O9 -","- C28 H32 Li4 O18 -","2","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0406","0.0358","","","0.0964","0.1022","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223766","7.3423","0.0002","10.0879","0.0002","14.4961","0.0003","90","","89.137","0.002","90","","1073.58","0.04","120","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hyrdoxy-4-nitiroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0478","0.0448","","","0.1334","0.1398","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223767","7.4696","0.0003","10.1464","0.0004","14.5732","0.0006","90","","90.118","0.004","90","","1104.49","0.08","300","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-Nitroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0997","0.0641","","","0.1919","0.2836","","","","","","1.1051","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7223768","12.0297","0.0005","12.0413","0.0006","13.5174","0.0005","90","","100.597","0.004","90","","1924.64","0.15","121","1","121","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0438","0.0373","","","0.1027","0.1088","","","","","","1.033","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223769","12.0519","0.0003","12.0497","0.0003","13.5108","0.0003","90","","101.003","0.003","90","","1925.99","0.08","300","0.14","300","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0383","0.0293","","","0.0789","0.0843","","","","","","1.039","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","185173","2020-10-21","18:00:00",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","185173","2020-10-21","18:00:00",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","177739","2020-10-21","18:00:00",""
"7223837","6.2713","0.0005","13.5593","0.0011","10.7931","0.0008","90","","97.635","0.009","90","","909.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 Pd S4 -","- C4 H6 O2 Pd S4 -","- C16 H24 O8 Pd4 S16 -","4","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0714","0.0421","","","0.0709","0.0834","","","","","","1.017","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223839","7.4778","0.0004","9.5272","0.0006","9.8084","0.0005","74.832","0.005","86.458","0.004","76.292","0.005","655.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0473","0.0334","","","0.0694","0.0775","","","","","","1.068","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223840","9.9077","0.0006","5.872","0.0003","11.9621","0.0006","90","","102.752","0.005","90","","678.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0718","0.0741","","","","","","1.054","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223841","5.7038","0.0004","6.7822","0.0004","10.5967","0.0008","72.42","0.006","78.467","0.006","79.852","0.005","379.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0263","0.024","","","0.0613","0.0638","","","","","","1.103","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223842","6.0243","0.0004","8.0461","0.0006","8.9366","0.0007","111.05","0.007","99.851","0.006","103.836","0.006","376.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.0283","0.0282","","","0.0766","0.0769","","","","","","1.048","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223843","7.0663","0.0005","8.4457","0.0003","9.2536","0.0004","63.74","0.004","73.752","0.003","83.782","0.003","475.4","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0181","0.0166","","","0.0418","0.0429","","","","","","1.041","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223844","6.1398","0.0006","6.7176","0.0005","11.9393","0.001","90.02","0.007","99.397","0.007","95.377","0.007","483.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.059","0.0563","","","0.1583","0.1636","","","","","","1.081","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223845","6.882","0.0011","7.3531","0.0012","10.0455","0.001","70.305","0.012","70.788","0.012","67.164","0.015","429.42","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.058","0.0543","","","0.1584","0.1659","","","","","","1.093","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223846","6.5622","0.0004","6.8643","0.0005","9.8385","0.0007","84.811","0.006","76.424","0.006","83.388","0.006","427","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0327","0.0294","","","0.0781","0.0829","","","","","","1.129","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223847","6.2746","0.0003","6.3302","0.0004","11.4138","0.0006","79.69","0.005","88.152","0.004","86.065","0.005","444.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0276","0.0234","","","0.0472","0.0492","","","","","","1.066","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223848","6.8083","0.0005","7.5446","0.0004","10.4837","0.0008","101.008","0.006","98.983","0.006","112.048","0.006","474.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0329","0.0291","","","0.0644","0.0678","","","","","","1.08","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223864","47.928","0.004","13.828","0.001","26.187","0.002","90","","114.491","0.002","90","","15794","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}","","- C69 H69 N9 O17 Zn3 -","- C54 H34 N4 O12 Zn3 -","- C432 H272 N32 O96 Zn24 -","8","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0877","0.0538","","","0.1338","0.1443","","","","","","0.925","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223865","15.174","0.002","15.185","0.002","18.174","0.002","81.094","0.003","84.734","0.003","78.952","0.003","4052.1","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}","","- C61 H75 N11 O15 Zn2 -","- C40 H26 N4 O8 Zn2 -","- C80 H52 N8 O16 Zn4 -","2","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0814","0.0598","","","0.1542","0.1605","","","","","","0.998","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223868","32.9672","0.0002","32.9672","0.0002","32.9672","0.0002","90","","90","","90","","35829.9","0.4","153","2","153","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H24 F18 Mn7 N15 O24 -","- C42 H24 F18 Mn7 N15 O24 -","- C672 H384 F288 Mn112 N240 O384 -","16","0.333333","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","1.54178","CuKα","","0.1273","0.0795","","","0.1877","0.2056","","","","","","1.081","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223869","20.2531","0.0007","19.4998","0.0004","29.3833","0.0008","90","","122.99","0.003","90","","9733.4","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Co4.5 N34 O12 W3 -","- C72 H54 Co4.5 N34 O12 W3 -","- C288 H216 Co18 N136 O48 W12 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71073","MoKα","","0.1443","0.0855","","","0.1817","0.2134","","","","","","1.06","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223870","19.0923","0.0003","20.3195","0.0004","31.5482","0.0006","72.427","0.001","77.063","0.001","68.621","0.001","10775.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H169.5 Co9 N72.5 O28.5 W6 -","- C164.5 H142.5 Co9 N72.5 O28.5 W6 -","- C329 H285 Co18 N145 O57 W12 -","2","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.0458","0.0371","","","0.0885","0.0979","","","","","","1.04","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223876","16.6133","0.001","6.9533","0.0004","19.4632","0.0011","90","","106.99","0.001","90","","2150.2","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","","0.71073","MoKα","","0.0462","0.0345","","0.0824","0.0767","0.0824","","","","","","0.9636","","","","has coordinates,has disorder","177759","2020-10-21","18:00:00",""
"7223877","7.7282","0.0006","10.7005","0.0008","15.4954","0.0012","83.863","0.001","78.191","0.001","73.576","0.001","1201.46","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate","","- C24.5 H30.5 Cl2 N3 O2.5 -","- C24.5 H30.5 Cl2 N3 O2.5 -","- C49 H61 Cl4 N6 O5 -","2","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0972","0.1099","","","","","","1.034","","","","has coordinates","177759","2020-10-21","18:00:00",""
"7223878","14.4563","0.0014","24.746","0.002","14.626","0.002","90","","112.294","0.006","90","","4841.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C30 H12 N6 O3 -","- C30 H12 N6 O3 -","- C240 H96 N48 O24 -","8","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.1219","0.0539","","","0.1045","0.1294","","","","","","1.039","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223879","8.0768","0.0005","8.5809","0.0005","13.4764","0.0008","74.672","0.003","88.214","0.003","77.262","0.003","878.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0815","0.0843","","","","","","1.099","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223880","10.2611","0.001","13.4117","0.0012","18.9648","0.0017","90","","101.601","0.006","90","","2556.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phthalonitrile","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0909","0.0496","","","0.1109","0.1277","","","","","","1.08","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223882","13.7511","0.0006","7.3953","0.0003","17.5013","0.0008","90","","91.983","0.002","90","","1778.7","0.13","148","2","148","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C88 H40 N16 O8 -","4","0.5","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0384","0.0341","","","0.0944","0.098","","","","","","1.109","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223893","9.8229","0.0002","11.4914","0.0002","16.3886","0.0003","94.801","0.005","103.133","0.004","97.661","0.005","1772.97","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 La N4 O13 -","- C36 H35 La N4 O13 -","- C72 H70 La2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71069","MoKα","","0.0622","0.0543","","","0.1546","0.1588","","","","","","0.963","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223894","9.8826","0.0002","11.5594","0.0003","16.3655","0.0004","94.257","0.001","103.951","0.001","97.86","0.002","1786.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Ce N4 O13 -","- C36 H35 Ce N4 O13 -","- C72 H70 Ce2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0561","0.0505","","","0.148","0.1516","","","","","","1.078","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223895","27.0059","0.0007","27.0059","0.0007","27.0059","0.0007","90","","90","","90","","19695.9","0.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C31 H43 La N6 O14 -","- C20 H14 La N2 O10 -","- C480 H336 La24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0844","0.0648","","","0.1907","0.223","","","","","","1.049","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223896","26.921","0.002","26.921","0.002","26.921","0.002","90","","90","","90","","19511","3","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C29 H36 Ce N5 O13 -","- C20 H14 Ce N2 O10 -","- C480 H336 Ce24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0588","0.0496","","","0.1343","0.1456","","","","","","1.073","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223897","26.681","0.003","26.681","0.003","26.681","0.003","90","","90","","90","","18994","4","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C23 H24 N5 O13 Sm -","- C20 H14 N2 O10 Sm -","- C480 H336 N48 O240 Sm24 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0741","0.0452","","","0.1152","0.1283","","","","","","1.025","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223916","4.8427","0.001","9.4938","0.0019","20.097","0.004","90","","92.37","0.03","90","","923.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N10 O4 -","- C16 H16 Co N10 O4 -","- C32 H32 Co2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0668","0.0563","","","0.1466","0.1544","","","","","","1.131","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223917","4.914","0.001","9.3923","0.0019","20.417","0.004","90","","92.66","0.03","90","","941.3","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N10 O4 -","- C16 H16 Mn N10 O4 -","- C32 H32 Mn2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0768","0.0577","","","0.1021","0.11","","","","","","1.127","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223918","4.9534","0.001","9.1796","0.0018","20.865","0.004","90","","93.9","0.03","90","","946.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N10 O4 -","- C16 H16 Cd N10 O4 -","- C32 H32 Cd2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0476","0.0365","","","0.066","0.0706","","","","","","1.135","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223920","7.7702","0.0016","9.0412","0.0018","9.2461","0.0018","94.47","0.03","107.46","0.03","95.08","0.03","613.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0422","0.037","","","0.0791","0.082","","","","","","1.056","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223921","7.8231","0.0016","9.0961","0.0018","9.2962","0.0019","94.66","0.03","107.53","0.03","95.54","0.03","623.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0455","0.0396","","","0.0892","0.0927","","","","","","1.099","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223922","7.7318","0.0015","8.9961","0.0018","9.1815","0.0018","94.4","0.03","107.22","0.03","95.01","0.03","604.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0595","0.0486","","","0.1042","0.1105","","","","","","1.086","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223923","7.7881","0.0016","9.038","0.0018","9.1899","0.0018","94.47","0.03","107.49","0.03","95.27","0.03","610.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0484","0.041","","","0.0803","0.084","","","","","","1.064","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223924","30.8851","0.0018","17.4665","0.001","20.3272","0.0014","90","","127.705","0.006","90","","8675.7","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 N14 O14 Zn2 -","- C62 H46 N14 O14 Zn2 -","- C248 H184 N56 O56 Zn8 -","4","0.5","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1326","0.1108","","","0.2973","0.3102","","","","","","1.105","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223925","10.882","0.003","11.386","0.003","20.627","0.005","100.75","0.02","103.307","0.016","103.024","0.018","2345.3","1.1","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N7 O6 Zn -","- C31 H21 N7 O6 Zn -","- C62 H42 N14 O12 Zn2 -","2","1","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1348","0.0806","","","0.2046","0.2256","","","","","","0.912","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223926","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N.","A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires","CrystEngComm","2016","18","8","1439","","10.1039/C5CE02253C","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","177758","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223958","11.9726","0.0005","9.2769","0.0004","11.5812","0.0005","90","","112.372","0.002","90","","1189.49","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iodopentafluorobenzene and pyridine (1:1)","","- C11 H5 F5 I N -","- C11 H5 F5 I N -","- C44 H20 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0224","0.0204","","","0.0443","0.0457","","","","","","1.14","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223959","8.0031","0.0004","12.031","0.0006","13.4501","0.0006","90","","100.731","0.002","90","","1272.4","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene 3-methylpyridine","iodopentafluorobenzene and 3-methylpyridine (1:1)","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0174","0.0148","","","0.0353","0.0363","","","","","","1.022","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223960","8.8544","0.0004","9.3356","0.0004","14.0154","0.0006","90","","101.478","0.001","90","","1135.36","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromopentafluorobenzene pyridine","bromopentafluorobenzene and pyridine (1:1)","","- C11 H5 Br F5 N -","- C11 H5 Br F5 N -","- C44 H20 Br4 F20 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0199","0.0183","","","0.0481","0.0487","","","","","","1.07","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223961","11.7434","0.0007","5.8599","0.0003","16.7329","0.001","90","","99.173","0.002","90","","1136.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene tetramethylethylenediamine","iodopentafluorobenzene and TMEDA (1:1)","","- C9 H8 F5 I N -","- C9 H8 F5 I N -","- C36 H32 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0189","0.0178","","","0.0379","0.0384","","","","","","1.175","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223966","11.6745","0.0018","12.4709","0.0004","16.003","0.002","90","","148.27","0.04","90","","1225.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O9 U -","- C6 H12 O9 U -","- C24 H48 O36 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.051","0.0353","","","0.0686","0.0773","","","","","","1.055","","","","has coordinates,has disorder","177744","2020-10-21","18:00:00",""
"7223967","10.7059","0.001","7.7322","0.0007","13.5945","0.0012","90","","107.093","0.002","90","","1075.65","0.17","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C24 H40 O32 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0763","0.0226","","","0.0548","0.0855","","","","","","0.997","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223968","10.724","0.006","7.721","0.004","6.897","0.004","90","","107.246","0.009","90","","545.4","0.5","250","","250","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C12 H20 O16 U2 -","2","0.25","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0223","0.0223","","","0.0504","0.0504","","","","","","1.072","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223969","10.097","0.0009","12.8101","0.0011","10.9229","0.0011","90","","102.581","0.002","90","","1378.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O5 Zn -","- C11 H3 N5 O5 Zn -","- C44 H12 N20 O20 Zn4 -","4","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1359","0.0793","","","0.1628","0.2196","","","","","","1.044","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7223971","19.571","0.002","11.0278","0.0009","13.2983","0.0012","90","","124.084","0.001","90","","2377.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Mn N4 Na O6 -","- C9 H7 Mn N4 Na O6 -","- C72 H56 Mn8 N32 Na8 O48 -","8","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1245","0.0657","","","0.1264","0.155","","","","","","1.065","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223972","7.3088","0.0008","10.1375","0.001","12.0815","0.0014","78.884","0.004","77.512","0.003","78.615","0.004","846.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","1","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","0.71073","MoKα","","0.0753","0.0705","","","0.1956","0.1982","","","","","","1.072","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","175962","2020-10-21","18:00:00",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","201369","2020-10-21","18:00:00",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7224001","14.0134","0.0007","14.8016","0.0007","15.2457","0.0006","105.689","0.005","113.922","0.004","103.178","0.005","2570","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","1","0.5","","Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di","Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology","CrystEngComm","2016","18","8","1329","","10.1039/C5CE02215K","","","1.54178","CuKα","","0.0935","0.0534","","","0.1121","0.1249","","","","","","0.888","","","","has coordinates","177753","2020-10-21","18:00:00",""
"7224002","8.127","0.003","15.764","0.011","8.041","0.003","90","","111.816","0.009","90","","956.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuClTAA3BP","","","- C7 H9 Cl Cu N2 S -","- C7 H9 Cl Cu N2 S -","- C28 H36 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0362","0.0264","","","0.0627","0.0674","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224003","8.8605","0.0002","9.6615","0.0002","11.7506","0.0002","66.423","0.001","82.85","0.001","78.316","0.001","901.79","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","CuClTAA/44bp","","","- C14 H18 Cl Cu N4 S2 -","- C14 H18 Cl Cu N4 S2 -","- C28 H36 Cl2 Cu2 N8 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0351","0.0272","","","0.0886","0.1089","","","","","","1.006","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224004","21.7441","0.0008","9.8378","0.0005","16.9298","0.0008","90","","90.766","0.002","90","","3621.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuBrbp","","","- C14 H18 Br Cu N4 S2 -","- C14 H18 Br Cu N4 S2 -","- C112 H144 Br8 Cu8 N32 S16 -","8","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0415","0.0251","","","0.0691","0.0886","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224005","21.91","0.003","9.9443","0.0015","16.891","0.003","90","","90.414","0.007","90","","3680.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuITAbp","","","- C28 H36 Cu2 I2 N8 S4 -","- C28 H36 Cu2 I2 N8 S4 -","- C112 H144 Cu8 I8 N32 S16 -","4","0.5","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0224","0.0184","","","0.0582","0.0703","","","","","","1.001","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224006","7.9771","0.0001","10.673","0.0001","8.921","0.0001","90","","97.182","0.001","90","","753.571","0.015","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClpyz","","","- C4 H7 Cl Cu N2 S -","- C4 H7 Cl Cu N2 S -","- C16 H28 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0197","0.0187","","","0.052","0.0527","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224007","7.4292","0.0002","8.0762","0.0002","9.614","0.0002","107.059","0.001","90.971","0.001","110.972","0.001","510.1","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","JA315b","","","- C4 H10 Cu I N2 S2 -","- C4 H10 Cu I N2 S2 -","- C8 H20 Cu2 I2 N4 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0221","0.0199","","","0.0503","0.0516","","","","","","1.004","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224008","13.8935","0.0005","14.0662","0.0008","18.2195","0.0011","108.577","0.002","110.263","0.003","97.592","0.003","3046.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 N8 Ni O21 S3 U2 -","- C53 H40 N8 Ni O20.9999 S3 U2 -","- C106 H80 N16 Ni2 O41.9998 S6 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0511","0.0333","","","0.0881","0.0934","","","","","","1.056","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224010","13.7311","0.0008","15.5105","0.0009","17.8862","0.0009","68.574","0.003","70.094","0.003","76.948","0.003","3311.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0648","0.0519","","","0.1371","0.1436","","","","","","1.027","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224011","13.7804","0.0003","15.5944","0.0003","18.0932","0.0004","67.6388","0.0009","69.388","0.0009","76.7394","0.0011","3345.09","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0746","0.0685","","","0.1862","0.1898","","","","","","1.096","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224012","26.1007","0.0003","26.1007","0.0003","6.695","0.0002","90","","90","","90","","4560.95","0.16","150","2","150","2","","","","","","","","7","P 42/n m c","-P 4ac 2a","137","","","","- C30 H26 Ag2 N6 O17 S3 U2 -","- C30 H24 Ag2 N6 O17 S3 U2 -","- C120 H96 Ag8 N24 O68 S12 U8 -","4","","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1023","","","","","","1.073","","","","has coordinates,has disorder","177763","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224021","15.513","0.002","15.513","0.002","26.445","0.004","90","","90","","90","","6364.1","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 K O15 Tb -","- C28 H18 K O14 Tb -","- C224 H144 K8 O112 Tb8 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1178","0.0719","","","0.205","0.2427","","","","","","0.953","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224022","15.322","0.002","15.322","0.002","26.327","0.004","90","","90","","90","","6180.6","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 Dy K O15 -","- C28 H20 Dy K0.805 O14 -","- C224 H160 Dy8 K6.44 O112 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1078","0.0822","","","0.2537","0.3021","","","","","","1.059","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224025","8.2616","0.0005","11.0442","0.0007","11.8712","0.0007","69.313","0.004","76.743","0.004","71.691","0.004","953.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0836","0.0518","","","0.1435","0.1585","","","","","","1.376","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224026","8.3486","0.0014","27.473","0.005","11.3936","0.0017","90","","93.665","0.004","90","","2607.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]tin(iV) tetrachloride.2C2H5OH","","- C21 H26 Cl4 N4 O3 Sn -","- C21 H26 Cl4 N4 O3 Sn -","- C84 H104 Cl16 N16 O12 Sn4 -","4","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0731","0.0533","","","0.1327","0.1478","","","","","","1.156","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224028","9.441","0.0005","10.9557","0.0006","10.9598","0.0006","64.848","0.003","88.44","0.004","72.81","0.003","973.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]manganese(II)dichloride dimer","","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","1","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0448","0.0334","","","0.0784","0.0846","","","","","","1.026","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224029","13.163","0.003","19.772","0.005","13.268","0.002","90","","92.198","0.007","90","","3450.6","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(2-(3!-amino-2,2-bipyridin-3-imino)phenoxide)iron(III)] chlorideacetonitrile solvate","","- C38 H32 Cl Fe N10 O2 -","- C38 H32 Cl Fe N10 O2 -","- C152 H128 Cl4 Fe4 N40 O8 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0745","0.042","","","0.0898","0.1016","","","","","","0.997","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224030","13.0767","0.0008","13.4441","0.0008","14.3843","0.0008","100.563","0.002","107.325","0.002","98.963","0.003","2312.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Fe2 N10 O5 -","- C52 H38 Fe2 N10 O5 -","- C104 H76 Fe4 N20 O10 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0852","0.0719","","","0.1842","0.199","","","","","","1.266","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","177760","2020-10-21","18:00:00",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224048","13.876","0.002","12.212","0.002","7.7376","0.0015","90","","104.205","0.018","90","","1271.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C52 H28 Co4 N4 O24 -","4","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.1275","0.0896","","","0.2021","0.2257","","","","","","1.102","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224049","6.4032","0.0003","7.7936","0.0003","12.7782","0.0006","74.095","0.004","83.775","0.004","84.04","0.004","607.82","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0402","0.0332","","","0.0766","0.0804","","","","","","1.066","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224050","6.4023","0.0003","16.0344","0.0006","25.698","0.001","106.588","0.001","96.084","0.001","92.993","0.001","2504.62","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C104 H56 Co8 N8 O48 -","8","4","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0636","0.0483","","","0.1313","0.1419","","","","","","1.063","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224059","28.77","0.03","8.771","0.008","10.211","0.001","90","","108.17","0.03","90","","2448","3","100","2","100","2","","","","","","","Aspergillus niger","4","C 1 2/c 1","-C 2yc","15","Nigerloxin dioxane water solvate","Nigerloxin dioxane water solvate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C96 H104 N8 O56 -","8","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.087","0.0636","","","0.1703","0.205","","","","","","1.105","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224060","11.277","0.004","8.788","0.003","9.851","0.004","90","","96.003","0.007","90","","970.9","0.6","100","2","100","2","","","","","","","Aspergillus niger","4","P 1 21/c 1","-P 2ybc","14","Nigerloxin monohydrate","Nigerloxin monohydrate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.0567","0.037","","","0.0867","0.0926","","","","","","1.042","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224069","42.6717","0.0011","26.3547","0.0007","33.6116","0.0009","90","","113.576","0.001","90","","34644.5","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}","","","- C216 H212 Cl4 Co16 F4 N4 O44 S16 -","- C216 H194 Cl4 Co16 F4 N4 O44 S16 -","- C864 H776 Cl16 Co64 F16 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0744","0.0638","","","0.1492","0.1543","","","","","","1.099","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224071","42.516","0.002","28.4143","0.0014","33.6347","0.0017","90","","111.972","0.002","90","","37682","3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13H7NO4]4}","","","- C216 H216 Cl4 Co16 N4 O44 S16 -","- C216 H204 Cl4 Co16 N4 O44 S16 -","- C864 H816 Cl16 Co64 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0864","0.0675","","","0.1865","0.1967","","","","","","1.051","","","","has coordinates","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224073","21.0408","0.0013","21.0408","0.0013","21.0408","0.0013","90","","90","","90","","9315.1","1","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H432 Cl18 La12 N24 Ni15 O276 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0644","0.0637","","","0.1716","0.1724","","","","","","1.036","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224074","20.9271","0.0003","20.9271","0.0003","20.9271","0.0003","90","","90","","90","","9164.9","0.2","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H460 Cl18 Gd12 N24 Ni15 O290 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.2181","0.1069","","","0.2436","0.2964","","","","","","1.042","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224075","18.7646","0.0007","9.0729","0.0002","18.6765","0.0007","90","","116.804","0.004","90","","2838.02","0.19","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl La N2 Ni O21 -","- C14 H28 Cl La N2 Ni O21 -","- C56 H112 Cl4 La4 N8 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0387","0.0319","","","0.0873","0.0894","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224076","18.633","0.0009","8.9756","0.0004","18.637","0.0009","90","","116.699","0.003","90","","2784.6","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl N2 Nd Ni O21 -","- C14 H18 Cl N2 Nd Ni O21 -","- C56 H72 Cl4 N8 Nd4 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0358","0.0314","","","0.077","0.0786","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224077","9.2011","0.0018","12.234","0.002","12.51","0.003","85.62","0.03","80.05","0.03","68.91","0.03","1294","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0259","0.0236","","","0.0563","0.0572","","","","","","1.046","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224078","9.1672","0.0018","12.17","0.002","12.442","0.003","85.92","0.03","79.65","0.03","68.68","0.03","1272","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0355","0.0316","","","0.0824","0.0985","","","","","","1.156","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224079","7.558","0.002","11.269","0.003","15.561","0.004","100.694","0.005","103.838","0.004","105.732","0.005","1193.4","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Dy N2 Ni O16 -","- C14 H34 Cl Dy N2 Ni O16 -","- C28 H68 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0288","0.0277","","","0.0695","0.0702","","","","","","1.093","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224080","28.11","0.004","13.7799","0.0016","14.3362","0.0017","90","","100.267","0.003","90","","5464.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Eu N7 O9 -","- C21 H19 Eu N7 O9 -","- C168 H152 Eu8 N56 O72 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0871","0.0602","","","0.1595","0.1744","","","","","","1.08","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224081","28.282","0.004","13.564","0.0018","14.509","0.002","90","","100.155","0.003","90","","5478.7","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N7 O9 Tb -","- C21 H19 N7 O9 Tb -","- C168 H152 N56 O72 Tb8 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0736","0.051","","","0.139","0.1527","","","","","","1.056","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224082","5.8278","0.0004","10.3521","0.0006","10.4775","0.0006","90","","102.948","0.007","90","","616.04","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Na2 O8 Sb -","- B3 Na2 O8 Sb -","- B12 Na8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0404","0.0336","","","0.0724","0.0762","","","","","","1.004","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224083","5.9013","0.0007","11.0876","0.001","10.9497","0.0012","90","","103.218","0.007","90","","697.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 K2 O8 Sb -","- B3 K2 O8 Sb -","- B12 K8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0282","0.0251","","","0.0691","0.0723","","","","","","0.944","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224084","5.9381","0.0006","11.2928","0.0005","11.3181","0.0015","90","","103.754","0.015","90","","737.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 O8 Rb2 Sb -","- B3 O8 Rb2 Sb -","- B12 O32 Rb8 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0294","0.0267","","","0.0649","0.066","","","","","","1.115","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7224101","13.6094","0.0004","20.4337","0.0005","17.9312","0.0006","90","","108.986","0.004","90","","4715.2","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)","","- C40 H38 Dy F21 N2 O6 -","- C40 H38 Dy F21 N2 O6 -","- C160 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0581","0.0443","","","0.1105","0.122","","","","","","1.059","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224102","14.0899","0.0003","19.8329","0.0003","17.4263","0.0003","90","","102.091","0.002","90","","4761.64","0.15","119.96","0.11","119.96","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)","","- C42 H38 Dy F21 N2 O6 -","- C42 H38 Dy F21 N2 O6 -","- C168 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0945","0.0678","","","0.1776","0.2076","","","","","","1.053","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224105","12.882","0.005","14.292","0.006","16.936","0.008","110.255","0.009","99.167","0.011","106.39","0.009","2690","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","1","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.2034","0.1636","","","0.4142","0.4428","","","","","","1.47","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224106","12.5013","0.0005","14.5412","0.0005","8.2241","0.0003","90","","104.849","0.0009","90","","1445.08","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O14 Zn2 -","- C28 H22 N4 O14 Zn2 -","- C56 H44 N8 O28 Zn4 -","2","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0242","0.022","","","0.0629","0.0641","","","","","","1.017","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224107","8.5151","0.0006","10.0658","0.0007","11.9929","0.0008","67.113","0.002","88.027","0.002","76.771","0.002","920.16","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N3 O8 -","- C16 H16 Cd N3 O8 -","- C32 H32 Cd2 N6 O16 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0638","0.0651","","","","","","1.06","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224108","9.946","0.004","9.946","0.004","31.544","0.013","90","","90","","90","","3120","2","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C120 H88 N8 O32 Zn8 -","8","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0359","0.0282","","","0.0631","0.0678","","","","","","1.07","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224110","20.941","0.004","8.9021","0.0018","15.065","0.003","90","","117.91","0.03","90","","2481.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C112 H88 N8 O32 Zn4 -","4","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0447","0.0402","","","0.1043","0.1081","","","","","","1.063","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224111","8.2249","0.0016","9.8672","0.0019","11.221","0.002","68.441","0.003","68.947","0.004","66.741","0.003","753.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N O5 Zn -","- C15 H14 N O5 Zn -","- C30 H28 N2 O10 Zn2 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0616","0.0536","","","0.1546","0.1654","","","","","","1.09","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224122","11.3787","0.001","8.1171","0.0007","21.41","0.002","90","","95.969","0.006","90","","1966.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.092","0.0488","","","0.1061","0.1252","","","","","","1.017","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224124","13.8571","0.0007","16.6586","0.0008","19.6933","0.0009","68.138","0.001","88.062","0.002","88.016","0.002","4215.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","C41H41.99B2CoF8N12","","","- C41 H41.99 B2 Co F8 N12 -","- C40.9975 H41.995 B2 Co F8 N12 -","- C163.99 H167.98 B8 Co4 F32 N48 -","4","2","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.1144","0.0757","","","0.1654","0.1812","","","","","","1.08","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224125","9.7431","0.0011","12.2307","0.0014","14.5005","0.0017","95.953","0.002","107.564","0.002","99.913","0.002","1600.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","C29H30B2CoF8N10O","","","- C29 H30 B2 Co F8 N10 O -","- C29 H30 B2 Co F8 N10 O -","- C58 H60 B4 Co2 F16 N20 O2 -","2","1","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0763","0.0502","","","0.1281","0.149","","","","","","1.025","","","","has coordinates,has disorder","185166","2020-10-21","18:00:00",""
"7224126","9.415","0.005","10.117","0.005","14.657","0.005","85.815","0.005","74.704","0.005","70.067","0.005","1265.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C54 H40 N4 O12 Zn2 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0629","0.0505","","","0.1169","0.1315","","","","","","1.073","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224127","11.106","0.005","15.856","0.005","17.853","0.005","82.222","0.005","88.158","0.005","88.201","0.005","3112.2","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C108 H80 N8 O24 Zn4 -","4","2","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0743","0.0601","","","0.1561","0.1613","","","","","","1.048","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224129","9.502","0.005","11.646","0.005","13.277","0.005","84.836","0.005","73.449","0.005","84.18","0.005","1398.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cd N3 O8 -","- C30 H29 Cd N3 O8 -","- C60 H58 Cd2 N6 O16 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0434","0.0385","","","0.0948","0.1016","","","","","","1.078","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224130","9.5536","0.0011","28.335","0.004","10.1074","0.0012","90","","107.415","0.003","90","","2610.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H20 Co N2 O6 -","- C27 H20 Co N2 O6 -","- C108 H80 Co4 N8 O24 -","4","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0539","0.05","","","0.1346","0.1377","","","","","","1.051","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224131","13.1143","0.0006","18.2637","0.0008","18.1148","0.0009","90","","91.971","0.001","90","","4336.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Co3 N8 O18 -","- C66 H54 Co3 N8 O18 -","- C132 H108 Co6 N16 O36 -","2","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0908","0.0579","","","0.1423","0.1528","","","","","","1.005","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224155","7.48","0.0015","23.63","0.005","12.47","0.003","90","","98.05","0.03","90","","2182.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cu4 N4 O15 -","- C50 H34 Cu4 N4 O15 -","- C100 H68 Cu8 N8 O30 -","2","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0988","0.0839","","","0.2165","0.2322","","","","","","1.076","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224156","7.8383","0.0006","9.4782","0.0006","14.9216","0.0013","91.826","0.006","95.897","0.006","103.056","0.006","1072.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","1","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0803","0.0504","","","0.1071","0.1221","","","","","","1.007","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224157","11.598","0.002","19.518","0.004","15.301","0.003","90","","91.47","0.03","90","","3462.5","1.2","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N4 O21 V6 -","- C56 H100 N4 O21 V6 -","- C112 H200 N8 O42 V12 -","2","0.5","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0475","0.0431","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has disorder","185175","2020-10-21","18:00:00",""
"7224158","10.381","0.002","12.311","0.003","9.6175","0.0019","90","","104.2","0.03","90","","1191.6","0.5","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N2 O23 V6 -","- C8 H26 N2 O23 V6 -","- C16 H52 N4 O46 V12 -","2","0.25","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0297","0.0281","","","0.0767","0.0776","","","","","","1.128","","","","has coordinates","185175","2020-10-21","18:00:00",""
"7224168","25.151","0.003","10.4057","0.0013","30.589","0.005","90","","113.035","0.002","90","","7367.2","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H56 N11 O35 Zn4 -","- C67 H38 N11 O26 Zn4 -","- C268 H152 N44 O104 Zn16 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.1346","0.0849","","","0.23","0.256","","","","","","1.035","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224169","21.687","0.003","18.249","0.002","22.474","0.004","90","","118.15","0.002","90","","7842","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 N12 Ni3 O28 -","- C72 H46 N12 Ni3 O26 -","- C288 H184 N48 Ni12 O104 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0912","0.0806","","","0.2122","0.2215","","","","","","1.03","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224170","13.5739","0.0015","19.361","0.002","8.7636","0.0009","90","","96.151","0.001","90","","2289.9","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 Ni O8.02 -","- C24 H14 N4 Ni O8 -","- C96 H56 N16 Ni4 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0824","0.0692","","","0.191","0.2003","","","","","","1.085","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224171","13.827","0.003","19.685","0.004","8.9064","0.0017","90","","97.32","0.003","90","","2404.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Mn N4 O8 -","- C24 H14 Mn N4 O8 -","- C96 H56 Mn4 N16 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0777","0.0466","","","0.1042","0.1149","","","","","","1.109","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224172","13.641","0.004","19.536","0.005","8.806","0.002","90","","96.639","0.003","90","","2331","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Co0.5 N2 O4.18 -","- C12 H7 Co0.5 N2 O4.18 -","- C96 H56 Co4 N16 O33.44 -","8","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0564","0.0486","","","0.1288","0.1344","","","","","","1.086","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224174","7.9939","0.0002","9.0331","0.0004","11.1337","0.0005","89.976","0.004","83.248","0.003","85.245","0.003","795.6","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0499","0.0377","","","0.0814","0.0864","","","","","","1.047","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224175","8.3895","0.0003","9.1961","0.0003","15.9849","0.0006","103.892","0.003","97.021","0.003","90.97","0.003","1186.83","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N4 O S -","- C8 H16 N4 O S -","- C32 H64 N16 O4 S4 -","4","2","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","1.54184","CuKα","","0.0374","0.0344","","","0.0956","0.0987","","","","","","1.043","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224176","7.7966","0.0005","9.0094","0.0005","10.8792","0.0007","89.053","0.005","85.454","0.005","83.906","0.005","757.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0749","0.0793","","","","","","1.05","","","","has coordinates,has disorder","177742","2020-10-21","18:00:00",""
"7224177","6.6617","0.0002","9.4643","0.0002","13.0807","0.0004","70.44","0.001","80.953","0.001","83.307","0.001","765.64","0.04","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Cl2 I N2 O2 Ru -","- C12 H8 Cl2 I N2 O2 Ru -","- C24 H16 Cl4 I2 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0294","0.0211","","","0.044","0.0465","","","","","","1.018","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224180","9.0961","0.0016","10.371","0.003","10.572","0.003","112.39","0.03","93.49","0.03","90.7","0.02","919.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 I4 N2 O2 Ru -","- C12 H8 I4 N2 O2 Ru -","- C24 H16 I8 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0478","0.0338","","","0.0879","0.0955","","","","","","1.051","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224181","11.6841","0.0006","11.4179","0.0006","17.2077","0.0009","90","","105.946","0.001","90","","2207.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br Cl3 I3 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C52 H36 Br8 Cl12 I8 N8 O8 Ru4 -","4","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0309","0.0204","","","0.0454","0.0494","","","","","","1.052","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224182","6.4683","0.0003","12.3842","0.0005","21.1414","0.0009","89.106","0.002","83.451","0.002","87.535","0.002","1680.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N2 O2 Ru -","- C13 H10 Cl4 N2 O2 Ru -","- C52 H40 Cl16 N8 O8 Ru4 -","4","2","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0412","0.0297","","","0.0703","0.0772","","","","","","1.035","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224185","16.2","0.01","7.378","0.007","8.793","0.006","90","","105.079","0.03","90","","1014.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isoniazid-adipic acid cocrystal II","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Sarceviča, I.; Kons, A.; Orola, L.","Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods","CrystEngComm","2016","18","9","1625","","10.1039/C5CE01774B","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.9","","","","","","","has coordinates","177768","2020-10-21","18:00:00",""
"7224194","18.1183","0.0003","19.5986","0.0004","24.7135","0.0005","75.385","0.0007","83.625","0.0006","74.064","0.0011","8157.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","","- C135 H202 Ag4 Cl6 F12 O34 S12 -","- C133 H188 Ag4 Cl6 F12 O33 S12 -","- C266 H376 Ag8 Cl12 F24 O66 S24 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","0.71073","MoKα","","0.1226","0.0952","","","0.2465","0.2636","","","","","","1.071","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224195","14.4639","0.0003","17.1573","0.0005","19.8936","0.0008","67.754","0.003","71.544","0.003","88.853","0.002","4306.2","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","","- C72 H107 Ag3 F9 O19.5 S6 -","- C72 H106 Ag3 F9 O19.5 S6 -","- C144 H212 Ag6 F18 O39 S12 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","x-ray","1.54184","CuKα","","0.0996","0.0856","","","0.2508","0.272","","","","","","1.035","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224196","14.9657","0.0003","31.1456","0.0007","22.3769","0.0006","90","","94.729","0.002","90","","10394.7","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","","- C79 H111 Ag4.5 F13.5 O20.5 S6 -","- C79 H105.5 Ag4.5 F13.5 O20.5 S6 -","- C316 H422 Ag18 F54 O82 S24 -","4","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1187","0.0918","","","0.261","0.2876","","","","","","1.04","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224197","17.7963","0.0006","20.7997","0.0006","24.3087","0.0005","92.255","0.002","98.785","0.002","106.258","0.003","8504.9","0.4","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","","- C153 H227 Ag5 F15 O32.5 S8 -","- C153 H225 Ag5 F15 O32.5 S8 -","- C306 H450 Ag10 F30 O65 S16 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1131","0.0739","","","0.197","0.2279","","","","","","0.991","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224206","11.5457","0.0004","13.4021","0.0005","29.7173","0.0012","90","","95.335","0.004","90","","4578.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0756","0.0428","","","0.0761","0.0863","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224207","11.4775","0.0004","13.3647","0.0005","29.9849","0.0008","90","","94.569","0.003","90","","4584.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0785","0.0428","","","0.079","0.0901","","","","","","1.01","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224208","11.5673","0.0012","13.4937","0.0008","30.088","0.003","90","","93.738","0.01","90","","4686.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1413","0.065","","","0.1106","0.1395","","","","","","0.989","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224209","11.583","0.0005","13.5168","0.0004","30.1137","0.0011","90","","93.57","0.004","90","","4705.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0955","0.0505","","","0.0966","0.1141","","","","","","0.991","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224210","11.5844","0.0006","13.5468","0.0005","30.1451","0.0011","90","","93.333","0.004","90","","4722.7","0.3","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0997","0.0513","","","0.1053","0.1244","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224211","11.6183","0.0007","13.554","0.0005","30.111","0.002","90","","93.455","0.005","90","","4733.1","0.5","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1325","0.0595","","","0.1085","0.1357","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224212","11.65","0.0005","13.5543","0.0006","30.068","0.0012","90","","93.859","0.004","90","","4737.2","0.3","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0964","0.0491","","","0.0888","0.104","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224213","11.5238","0.0007","13.4068","0.0005","29.8526","0.0013","90","","95.231","0.005","90","","4592.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1061","0.0534","","","0.0946","0.1117","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224214","11.5241","0.0006","13.4062","0.0004","29.8989","0.0011","90","","95.061","0.004","90","","4601.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.096","0.051","","","0.0898","0.1048","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224215","11.4898","0.0007","13.3882","0.0005","29.98","0.0013","90","","94.753","0.005","90","","4595.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1051","0.0534","","","0.0953","0.1134","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224216","11.4937","0.0003","13.381","0.0004","29.9575","0.001","90","","94.717","0.003","90","","4591.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0748","0.0466","","","0.0929","0.1046","","","","","","1.023","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224217","11.4854","0.0003","13.3693","0.0003","30.0108","0.0008","90","","94.639","0.002","90","","4593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0513","0.0329","","","0.0667","0.0728","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224218","11.5322","0.0004","13.4261","0.0005","30.0361","0.0011","90","","94.162","0.004","90","","4638.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0968","0.0514","","","0.0902","0.1054","","","","","","1.012","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224219","11.5569","0.0005","13.4632","0.0005","30.0545","0.0013","90","","93.906","0.004","90","","4665.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1115","0.0537","","","0.0908","0.109","","","","","","1.011","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224220","11.5703","0.0005","13.4876","0.0006","30.0621","0.0014","90","","93.739","0.005","90","","4681.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1202","0.0571","","","0.0914","0.1101","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224221","11.6115","0.0007","13.5033","0.0007","29.982","0.0017","90","","93.955","0.005","90","","4689.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1383","0.0628","","","0.1065","0.1333","","","","","","1","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224222","11.646","0.0006","13.5277","0.0007","30.0138","0.0015","90","","93.953","0.005","90","","4717.2","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.136","0.0596","","","0.0903","0.112","","","","","","1.002","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224223","11.6422","0.0005","13.5412","0.0006","30.0467","0.0011","90","","93.985","0.004","90","","4725.4","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0913","0.0474","","","0.0889","0.1029","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224224","11.6538","0.0006","13.5552","0.0007","30.0383","0.0016","90","","93.725","0.005","90","","4735.1","0.4","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1492","0.0601","","","0.0904","0.1157","","","","","","0.983","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224225","13.691","0.004","22.544","0.006","11.572","0.003","90","","96.98","0.05","90","","3545.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C30 H52 N6 O17 -","- C30 H38 N6 O17 -","- C120 H152 N24 O68 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.71073","MoKα","","0.1222","0.1019","","","0.2549","0.2711","","","","","","1.069","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224226","11.73","0.003","19.81","0.005","17.13","0.004","90","","105.77","0.03","90","","3830.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C30 H45 Mn N6 Na O21 -","- C30 H35 Mn N6 Na O20.5 -","- C120 H140 Mn4 N24 Na4 O82 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1105","0.1048","","","0.2944","0.3013","","","","","","1.064","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224227","18.78","0.004","18.11","0.004","9.2","0.002","90","","106.22","0.05","90","","3004.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C30 H38 N6 Ni O11 -","- C30 H36 N6 Ni O11 -","- C120 H144 N24 Ni4 O44 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1095","0.0841","","","0.2394","0.2671","","","","","","1.085","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224228","10.83","0.016","18.48","0.002","16.55","0.002","90","","103.9","0.02","90","","3215","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C30 H40 N6 O14 Zn2 -","- C30 H34 N6 O14 Zn2 -","- C120 H136 N24 O56 Zn8 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotronradiation","","0.1989","0.0951","","","0.2204","0.2896","","","","","","1.018","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224229","11.36","0.003","22.08","0.003","15.56","0.003","90","","90.2","0.03","90","","3902.9","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6","","- C30 H50 N6 Ni O19 Zn -","- C30 H34 N6 Ni O19 Zn -","- C120 H136 N24 Ni4 O76 Zn4 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1127","0.1057","","","0.3426","0.3522","","","","","","1.669","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224230","37","0.004","12.5","0.004","18.68","0.004","90","","111.4","0.03","90","","8044","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7","","- C30 H52 Mn N6 O20 Zn -","- C30 H34 Mn N6 O20 Zn -","- C240 H272 Mn8 N48 O160 Zn8 -","8","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1171","0.1041","","","0.3237","0.345","","","","","","1.562","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224231","4.9477","0.0002","10.5762","0.0005","13.8911","0.0007","109.507","0.005","95.486","0.004","101.807","0.004","660","0.06","120","1","120","2","","","","","","","see text","4","P -1","-P 1","2","","111 GASM 14D sovate","","- C13 H15 N O8 -","- C13 H15 N O8 -","- C26 H30 N2 O16 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0831","0.0862","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224232","4.7352","0.0002","16.3413","0.0005","15.6208","0.0009","90","","91.454","0.004","90","","1208.34","0.09","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","111 GASM hydrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0728","0.046","","","0.0873","0.1005","","","","","","1.012","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224233","8.0698","0.0004","10.3449","0.0006","15.3908","0.001","102.993","0.005","91.11","0.005","109.434","0.005","1174.4","0.13","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","221 GASM hydrate","","- C11 H12 N O7.5 -","- C11 H12 N O7.5 -","- C44 H48 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0741","0.0561","","","0.1406","0.1574","","","","","","1.06","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224234","11.4899","0.0007","13.1674","0.0007","13.3084","0.001","67.527","0.006","67.492","0.007","64.74","0.006","1623.5","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","421 GASM hydrate","","- C15 H17 N2 O9.5 -","- C15 H17 N2 O9.5 -","- C60 H68 N8 O38 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0581","0.0441","","","0.108","0.1202","","","","","","1.053","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224235","8.2761","0.0004","11.6893","0.0006","14.7645","0.0007","108.269","0.004","97.664","0.004","101.744","0.004","1297.75","0.12","110","0.1","110","2","","","","","","","see text","4","P -1","-P 1","2","","221 GASM Act solvate","","- C12.5 H14 N O7.5 -","- C12.5 H14 N O7.5 -","- C50 H56 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0495","0.0404","","","0.1039","0.1106","","","","","","1.037","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224236","9.1318","0.0004","14.0453","0.0006","15.5062","0.0007","79.362","0.004","85.337","0.003","79.211","0.003","1917.82","0.15","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","331 GASM EtOAc solvate","","- C37 H39 N3 O23 -","- C37 H39 N3 O23 -","- C74 H78 N6 O46 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.1053","0.0591","","","0.1542","0.1873","","","","","","1.019","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00",""
"7224255","8.813","0.002","23.763","0.005","14.62","0.003","90","","91.91","0.02","90","","3060.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 I6 N10 O9 Zn2 -","- C55 H48 I6 N10 O9 Zn2 -","- C110 H96 I12 N20 O18 Zn4 -","2","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0772","0.0493","","","0.1041","0.1149","","","","","","1.04","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224256","24.0554","0.0018","11.3346","0.0009","22.9563","0.0018","90","","98.893","0.008","90","","6184","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 I6 N12 O10 Zn -","- C58 H52 I6 N12 O10 Zn -","- C232 H208 I24 N48 O40 Zn4 -","4","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0626","0.0475","","","0.1215","0.1298","","","","","","1.037","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224257","10.1389","0.0005","14.9139","0.0008","23.1236","0.0012","90","","95.194","0.002","90","","3482.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.42 H35.65 N6.81 O5.81 Zn -","- C33.421 H35.649 N6.807 O5.807 Zn -","- C133.684 H142.596 N27.228 O23.228 Zn4 -","4","1","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.1145","0.0789","","","0.2271","0.2566","","","","","","1.057","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224263","14.3465","0.0007","22.44","0.0011","19.3715","0.0011","90","","92.822","0.004","90","","6228.8","0.6","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B16 Co2 N2 O10 -","- C14 H30 B16 Co2 N2 O10 -","- C112 H240 B128 Co16 N16 O80 -","8","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1386","0.0809","","","0.1916","0.2055","","","","2.91","2.91","2.22","","","","has coordinates","288070","2023-12-06","12:58:05",""
"7224264","31.1622","0.0012","31.1622","0.0012","11.1615","0.0005","90","","90","","90","","10838.7","0.8","299","1","299","","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C11 H16 B16 Cu2 O11.4 -","- C11 H16 B16 Cu2 O11.4 -","- C88 H128 B128 Cu16 O91.2 -","8","0.5","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1049","0.0928","","","0.1924","0.1945","","","","4.53","4.53","4.16","","","","has coordinates","181597","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224280","14.556","0.005","12.648","0.005","17.312","0.005","90","","110.84","0.005","90","","2978.7","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N5 O6 -","- C29 H25 Co N5 O6 -","- C116 H100 Co4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0884","0.0728","","","0.2205","0.2355","","","","","","1.039","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224281","10.284","0.005","19.302","0.005","11.701","0.005","90","","102.472","0.005","90","","2267.9","1.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O5 Zn -","- C26 H18 N4 O5 Zn -","- C104 H72 N16 O20 Zn4 -","4","0.5","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0366","0.0328","","","0.0897","0.0922","","","","","","1.098","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224282","14.298","0.005","12.999","0.005","16.979","0.005","90","","108.28","0.005","90","","2996.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N5 O6 -","- C29 H25 Cd N5 O6 -","- C116 H100 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0638","0.0556","","","0.1573","0.1641","","","","","","1.04","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224283","14.261","0.005","13.024","0.005","17.038","0.005","90","","108.197","0.005","90","","3006.3","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0508","0.0357","","","0.0847","0.0929","","","","","","1.036","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224284","14.499","0.005","12.841","0.005","16.771","0.005","90","","108.244","0.005","90","","2965.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N5 O6 -","- C30 H27 Cd N5 O6 -","- C120 H108 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0818","0.0561","","","0.1355","0.1537","","","","","","1.073","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224285","14.268","0.005","12.993","0.005","16.902","0.005","90","","107.945","0.005","90","","2980.9","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cu N5 O6 -","- C29 H25 Cu N5 O6 -","- C116 H100 Cu4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.1009","0.0781","","","0.1844","0.2284","","","","","","1.05","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224286","12.713","0.016","8.649","0.011","15.231","0.019","90","","103.798","0.015","90","","1626","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.0618","0.0402","","","0.1019","0.1168","","","","","","1.03","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224287","11.62","0.003","13.232","0.003","13.981","0.003","105.776","0.001","90.626","0.002","112.721","0.001","1891.8","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C90 H66 N6 O24 -","6","3","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.1091","0.0627","","","0.1675","0.1936","","","","","","1.05","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224288","8.7874","0.0003","12.0308","0.0007","13.8215","0.0008","90","","104.964","0.003","90","","1411.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene 1,1,2,2-tetrachloroethane solvate","","- C30 H22 Cl8 -","- C30 H22 Cl8 -","- C60 H44 Cl16 -","2","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0738","0.0515","","","0.1201","0.1314","","","","","","1.062","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224289","10.4702","0.0009","13.3923","0.001","12.0158","0.0011","90","","89.931","0.008","90","","1684.9","0.2","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0485","0.0365","","","0.0876","0.0954","","","","","","1.101","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224290","10.041","0.002","13.15","0.002","11.378","0.002","90","","88.483","0.017","90","","1501.8","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0816","0.0528","","","0.1294","0.1475","","","","","","1.058","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224291","22.1305","0.0004","5.90728","0.00009","33.8663","0.0006","90","","106.709","0.0018","90","","4240.45","0.13","293","2","293.15","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0677","0.0448","","","0.1089","0.122","","","","","","1.023","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224293","9.3498","0.0016","9.4481","0.0018","24.396","0.002","89.902","0.012","81.207","0.012","76.231","0.016","2067.2","0.6","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.1684","0.1011","","","0.2633","0.3295","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224320","13.0733","0.0002","16.7932","0.0003","19.0162","0.0002","91.0697","0.0011","94.1916","0.0012","103.074","0.0014","4053.1","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C198 H150 N30 O24 -","6","3","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0472","0.0425","","","0.1137","0.117","","","","","","1.087","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224321","14.34241","0.00019","19.5568","0.0002","11.3441","0.00016","90","","94.0477","0.0012","90","","3173.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C148 H136 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0538","0.0424","","","0.0981","0.1044","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224322","14.5114","0.0007","19.1956","0.0007","11.3102","0.0004","90","","97.975","0.004","90","","3120","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 D6 N5 O6 S -","- C35 H27 D6 N5 O6 S -","- C140 H108 D24 N20 O24 S4 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.1021","0.061","","","0.1416","0.1634","","","","","","1.093","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224323","13.934","0.003","19.167","0.0019","11.1543","0.0014","90","","94.855","0.018","90","","2968.3","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 O4 -","- C35 H28 N6 O4 -","- C140 H112 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54184","CuKα","","0.1041","0.0591","","","0.1209","0.1499","","","","","","0.952","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224324","8.9343","0.0002","12.0833","0.0002","13.1298","0.0002","112.097","0.002","93.024","0.002","101.52","0.002","1274.04","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 O3 -","- C27 H22 Cl2 N4 O3 -","- C54 H44 Cl4 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0838","0.0657","","","0.1671","0.183","","","","","","1.052","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224325","9.0133","0.0001","11.9653","0.0001","12","0.0001","83.142","0.001","81.233","0.001","69.213","0.001","1192.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H21 Cl N4 O3 -","- C26.5 H21 Cl N4 O3 -","- C53 H42 Cl2 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.067","0.0582","","","0.1498","0.1586","","","","","","1.049","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224326","8.189","0.0002","12.1939","0.0003","14.5599","0.0003","68.849","0.002","80.18","0.003","86.555","0.003","1336.08","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C60 H58 N10 O8 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0813","0.0512","","","0.1195","0.1369","","","","","","1.027","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224328","8.5193","0.0003","9.8054","0.0004","14.3709","0.0004","74.437","0.003","75.224","0.003","78.208","0.003","1106.25","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C26 H21 N5 O3 -","- C26 H21 N5 O3 -","- C52 H42 N10 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0568","0.0439","","","0.1054","0.1126","","","","","","1.1","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224329","12.3983","0.0002","19.7518","0.0003","14.0691","0.0002","90","","99.8562","0.0016","90","","3394.51","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl3 N6 O4 -","- C35 H25 Cl3 N6 O4 -","- C140 H100 Cl12 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0661","0.0501","","","0.1198","0.1299","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224330","12.1856","0.0005","20.3897","0.0008","13.7195","0.0005","90","","95.426","0.003","90","","3393.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N7 O5 -","- C38 H33 N7 O5 -","- C152 H132 N28 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1275","0.0703","","","0.1653","0.2001","","","","","","1.021","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224331","12.2684","0.0004","20.2242","0.0007","13.8112","0.0005","90","","98.246","0.002","90","","3391.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N6 O5 -","- C38 H32 N6 O5 -","- C152 H128 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1238","0.083","","","0.21","0.2409","","","","","","1.031","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224332","8.7193","0.0002","13.1332","0.0003","13.2791","0.0005","114.688","0.001","97.288","0.001","103.693","0.001","1297.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C60 H54 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.71073","MoKα","","0.1002","0.0586","","","0.1308","0.1503","","","","","","1.062","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224333","8.7246","0.0005","13.2012","0.0005","15.2754","0.0005","97.888","0.003","104.934","0.004","104.062","0.004","1611.06","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N2-(2-acetamidophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C32 H35 N5 O6 S2 -","- C32 H35 N5 O6 S2 -","- C64 H70 N10 O12 S4 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0735","0.0516","","","0.1138","0.1271","","","","","","1.031","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224334","26.4407","0.0011","8.6348","0.0003","21.4502","0.001","90","","94.284","0.002","90","","4883.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N5 O4 -","- C28 H23 N5 O4 -","- C224 H184 N40 O32 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0901","0.0518","","","0.1129","0.1333","","","","","","1.072","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224335","9.6881","0.0006","10.6294","0.0007","15.8346","0.0009","105.487","0.005","103.244","0.005","102.241","0.005","1463.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C66 H66 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0937","0.058","","","0.0991","0.1136","","","","","","1.037","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224336","13.8945","0.0003","19.3946","0.0004","11.2987","0.0002","90","","92.96","0.002","90","","3040.69","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 D6 N5 O5 -","- C36 H25 D6 N5 O5 -","- C144 H100 D24 N20 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0787","0.0581","","","0.1478","0.1617","","","","","","1.077","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224337","8.837","0.003","9.956","0.002","12.431","0.004","67.08","0.02","85.63","0.03","73.08","0.02","962.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O4 S6 -","- C16 H14 N O4 S6 -","- C32 H28 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71075","MoKα","","0.0577","0.0436","","","0.1033","0.1277","","","","","","1.029","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224338","9.5145","0.0019","9.96","0.002","13.139","0.003","107.14","0.03","106.56","0.03","94.37","0.03","1122.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","1","0.5","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0528","0.0424","","","0.1109","0.1141","","","","","","1.071","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224339","7.5801","0.0015","11.601","0.002","12.317","0.003","89.25","0.03","74.54","0.03","88.44","0.03","1043.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O4 S6 -","- C17 H16 N O4 S6 -","- C34 H32 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0629","0.0388","","","0.0926","0.1025","","","","","","1.041","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224340","26.74","0.02","15.068","0.012","19.967","0.016","90","","128.436","0.011","90","","6302","9","243","2","243","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","wcz","","","- C42 H70 Ca Cd Cl4 N24 O23 -","- C42 H48 Ca Cd Cl4 N24 O16 -","- C168 H192 Ca4 Cd4 Cl16 N96 O64 -","4","0.5","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1917","0.1023","","","0.2904","0.3397","","","","","","0.948","","","","has coordinates","181603","2020-10-21","18:00:00",""
"7224341","14.998","0.006","18.882","0.008","27.686","0.012","90","","92.018","0.006","90","","7836","6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wcz","","","- C42 H90 Ba2 Cd Cl6 N24 O33 -","- C42 H48 Ba2 Cd Cl6 N24 O19 -","- C168 H192 Ba8 Cd4 Cl24 N96 O76 -","4","1","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1967","0.0987","","","0.2573","0.298","","","","","","0.897","","","","has coordinates,has disorder","181603","2020-10-21","18:00:00",""
"7224342","6.8378","0.0004","12.9909","0.0008","13.6543","0.0008","74.892","0.005","77.728","0.005","77.116","0.005","1126.02","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 La N3 O10 -","- C18 H17 F3 La N3 O10 -","- C36 H34 F6 La2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71","MoKα","","0.0544","0.0423","","","0.0618","0.0707","","","","","","1.027","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224343","6.8156","0.0008","12.914","0.0015","13.6372","0.0013","74.71","0.009","77.652","0.009","76.938","0.01","1112.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Pr -","- C18 H17 F3 N3 O10 Pr -","- C36 H34 F6 N6 O20 Pr2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0528","0.0418","","","0.0802","0.086","","","","","","1.006","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224344","6.806","0.0003","12.881","0.0009","13.6265","0.0008","74.631","0.006","77.655","0.005","76.893","0.005","1106.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 Nd O10 -","- C18 H17 F3 N3 Nd O10 -","- C36 H34 F6 N6 Nd2 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0468","0.039","","","0.0749","0.0812","","","","","","1.049","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224345","6.7955","0.0004","12.8007","0.0008","13.6033","0.0009","74.644","0.005","77.629","0.005","76.699","0.005","1095.54","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Eu F3 N3 O10 -","- C18 H17 Eu F3 N3 O10 -","- C36 H34 Eu2 F6 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0584","0.063","","","","","","1.038","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224346","6.7892","0.0005","12.7644","0.0012","13.5843","0.0016","74.594","0.009","77.659","0.009","76.719","0.008","1089.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 Gd N3 O10 -","- C18 H17 F3 Gd N3 O10 -","- C36 H34 F6 Gd2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0374","0.0329","","","0.0723","0.0759","","","","","","1.028","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224347","6.7859","0.0004","12.7748","0.0007","13.566","0.0008","74.689","0.005","77.546","0.005","76.536","0.005","1088.1","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Tb -","- C18 H17 F3 N3 O10 Tb -","- C36 H34 F6 N6 O20 Tb2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0332","0.0288","","","0.0589","0.0621","","","","","","1.039","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224348","6.7196","0.0004","13.0045","0.0009","13.3399","0.0009","94.604","0.006","93.382","0.005","102.228","0.005","1132.12","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F3 N3 O11 Tm -","- C18 H19 F3 N3 O11 Tm -","- C36 H38 F6 N6 O22 Tm2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0431","0.0364","","","0.0713","0.0768","","","","","","1.107","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224349","8.6142","0.0002","27.4686","0.0009","15.3524","0.0004","90","","100.233","0.003","90","","3574.9","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Eu F2 N7 O10 -","- C36 H28 Eu F2 N7 O10 -","- C144 H112 Eu4 F8 N28 O40 -","4","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0709","0.047","","","0.1078","0.1255","","","","","","1.046","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"7224351","10.8484","","14.3701","","13.0037","","90","","125.84","","90","","1643.34","","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GL-MA","","","- C19 H27 N3 O8 S -","- C19 H27 N3 O8 S -","- C76 H108 N12 O32 S4 -","4","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.894","","","","","","","has coordinates","181593","2020-10-21","18:00:00",""
"7224352","11.6181","0.0001","12.7879","0.0001","24.72","0.0002","90","","91.4752","0.0006","90","","3671.46","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(FIO)3:CH2Cl2","","","- C40 H23 Cl2 F3 N6 O6 -","- C40 H23 Cl2 F3 N6 O6 -","- C160 H92 Cl8 F12 N24 O24 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.042","0.0347","","","0.0867","0.093","","","","","","1.032","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224353","11.4994","0.0001","18.9382","0.0001","17.4326","0.0001","90","","91.599","0.002","90","","3794.96","0.04","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(FIO)3:DMSO","","","- C41 H27 F3 N6 O7 S -","- C41 H27 F3 N6 O7 S -","- C164 H108 F12 N24 O28 S4 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1048","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224354","12.007","0.001","12.0935","0.0009","17.6041","0.0014","100.016","0.007","103.607","0.007","90.467","0.007","2443.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","(FIO)4","","","- C53 H29 Cl3 F4 N8 O8 -","- C53 H29 Cl3 F4 N8 O8 -","- C106 H58 Cl6 F8 N16 O16 -","2","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0821","0.0582","","","0.1588","0.1839","","","","","","1.024","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224355","12.8052","0.0001","23.0739","0.0001","18.4579","0.0002","90","","107.394","0.001","90","","5204.29","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(FIO)4:2(Acetone)","","","- C58 H40 F4 N8 O10 -","- C58 H40 F4 N8 O10 -","- C232 H160 F16 N32 O40 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0677","0.0638","","","0.1931","0.1966","","","","","","1.11","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224362","40.2669","0.001","13.9032","0.0005","25.9948","0.0009","90","","104.201","0.003","90","","14108.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 Co3 N4 O16 -","- C80 H48 Co3 N4 O16 -","- C320 H192 Co12 N16 O64 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.0539","0.0393","","","0.0862","0.0887","","","","","","1.023","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224363","26.9364","0.0007","22.1231","0.0004","26.0462","0.0008","90","","109.737","0.003","90","","14609.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H48 Cd3 N4 O16 -","- C80 H48 Cd3 N4 O16 -","- C320 H192 Cd12 N16 O64 -","4","1","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.1186","0.0826","","","0.2405","0.2709","","","","","","1.057","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224366","24.282","0.005","19.029","0.004","16.19","0.003","90","","100.99","0.03","90","","7344","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N7 O6 Zn -","- C33.5 H25.5 N5.5 O4.5 Zn -","- C268 H204 N44 O36 Zn8 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.116","0.1046","","","0.2586","0.2651","","","","","","1.066","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224367","24.286","0.005","18.962","0.004","16.247","0.003","90","","99.84","0.03","90","","7372","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd N7 O6 -","- C32 H21.568 Cd N5 O4 -","- C256 H172.544 Cd8 N40 O32 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.1337","0.1108","","","0.316","0.3367","","","","","","1.201","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224370","46.009","0.003","9.7333","0.0005","20.7159","0.0016","90","","105.77","0.004","90","","8927.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cu3 Gd I3 N3 O8 -","- C38 H31 Cu3 Gd I3 N3 O8 -","- C304 H248 Cu24 Gd8 I24 N24 O64 -","8","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0748","0.0369","","","0.0808","0.0936","","","","","","0.939","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224371","9.6323","0.0019","16.676","0.003","21.182","0.004","104.08","0.03","100.39","0.03","97.03","0.03","3196.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Gd I4 N3 O13 -","- C36 H28 Cu4 Gd I4 N3 O8 -","- C72 H56 Cu8 Gd2 I8 N6 O16 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0553","0.0392","","","0.1141","0.1201","","","","","","1.069","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224386","7.727","0.0007","31.123","0.002","9.4423","0.0009","90","","90.283","0.007","90","","2270.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0575","0.0445","","","0.0761","0.0777","","","","","","1.546","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224387","7.696","0.0007","30.757","0.002","9.355","0.0009","90","","90.217","0.007","90","","2214.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.043","0.0371","","","0.1449","0.147","","","","","","1.522","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224388","10.9103","0.0002","19.8342","0.0004","11.3617","0.0002","90","","100.744","0.002","90","","2415.54","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br8 P2 Sb2 -","- C6 H20 Br8 P2 Sb2 -","- C24 H80 Br32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0377","0.029","","","0.0729","0.075","","","","","","1.157","","","","has coordinates,has disorder","181616","2020-10-21","18:00:00",""
"7224391","16.6417","0.0018","5.4913","0.0006","23.838","0.003","90","","98.603","0.002","90","","2153.9","0.4","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-adipic acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-hexane-1,6-dicarboxylic acid","","- C21 H20 Cl N2 O4 S -","- C21 H20 Cl N2 O4 S -","- C84 H80 Cl4 N8 O16 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0632","0.0555","","","0.1444","0.1516","","","","","","1.025","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224392","12.552","0.003","12.574","0.003","14.989","0.003","96.69","0.003","114.553","0.002","90.099","0.003","2133.8","0.8","278","2","278","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-caprolactam dihydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-Azepan-2-one dihydrate","","- C42 H45 Cl2 N5 O7 S2 -","- C42 H45 Cl2 N5 O7 S2 -","- C84 H90 Cl4 N10 O14 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0526","0.044","","","0.1227","0.1295","","","","","","1.037","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224393","11.8317","0.0015","12.7266","0.0016","15.772","0.002","90","","90.203","0.002","90","","2374.9","0.5","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-gluraric acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-pentanedioic acid","","- C23 H23 Cl N2 O6 S -","- C23 H23 Cl N2 O6 S -","- C92 H92 Cl4 N8 O24 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0517","0.0445","","","0.1219","0.1281","","","","","","1.039","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224394","9.0238","0.0003","10.1284","0.0005","14.8544","0.0009","82.766","0.005","77.64","0.004","85.386","0.004","1313.61","0.11","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid","","- C26 H29 Cl N2 O6 S -","- C26 H29 Cl N2 O6 S -","- C52 H58 Cl2 N4 O12 S2 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","1.54184","CuKα","","0.0498","0.0424","","","0.1154","0.1219","","","","","","1.044","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224395","12.2796","0.0015","12.4817","0.001","14.8713","0.0018","95.187","0.008","113.754","0.012","91.242","0.008","2073.5","0.4","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal hydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid trihydrate","","- C40 H41 Cl2 N4 O9 S2 -","- C40 H41 Cl2 N4 O9 S2 -","- C80 H82 Cl4 N8 O18 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.1562","0.0649","","","0.0936","0.1307","","","","","","0.962","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224398","8.2284","0.0005","9.8021","0.0006","9.8519","0.0006","96.266","0.001","90.993","0.001","112.429","0.001","728.61","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd N3 Na O10 -","- C9 H14 Cd N3 Na O10 -","- C18 H28 Cd2 N6 Na2 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0243","0.0231","","","0.0558","0.0573","","","","","","0.962","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224400","8.5713","0.0017","9.793","0.002","9.91","0.002","97.99","0.03","90.62","0.03","112.72","0.03","757.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd K N3 O10 -","- C9 H14 Cd K N3 O10 -","- C18 H28 Cd2 K2 N6 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0319","0.0288","","","0.0677","0.0699","","","","","","0.928","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224401","8.6333","0.0003","9.7461","0.0003","10.2243","0.0003","92.742","0.001","105.95","0.001","115.039","0.001","736","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cd N4 O9 -","- C10 H17 Cd N4 O9 -","- C20 H34 Cd2 N8 O18 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0171","0.0156","","","0.048","0.0599","","","","","","1.323","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224402","28.1876","0.0012","20.8706","0.0007","17.9257","0.0007","90","","106.239","0.005","90","","10124.8","0.7","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O12 -","- C56 H60 N4 O12 -","- C448 H480 N32 O96 -","8","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.094","0.0651","","","0.1663","0.1891","","","","","","1.025","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224403","9.9521","0.0007","13.7594","0.001","15.1539","0.0012","113.562","0.007","94.266","0.006","90.364","0.006","1895.3","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O10 -","- C44 H46 N2 O10 -","- C88 H92 N4 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0855","0.0518","","","0.1154","0.1339","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224404","11.6839","0.0004","13.6838","0.0006","14.7557","0.0006","67.409","0.004","89.351","0.003","67.249","0.004","1982.39","0.17","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 O11 -","- C45 H50 N2 O11 -","- C90 H100 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0431","0.037","","","0.0973","0.1031","","","","","","1.023","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224405","18.6065","0.0003","14.6623","0.0003","14.2271","0.0003","90","","102.641","0.0018","90","","3787.27","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N2 O12 -","- C44 H46 N2 O12 -","- C176 H184 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0352","0.0324","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224407","13.3203","0.0004","16.1527","0.0004","20.8931","0.0004","90","","100.307","0.002","90","","4422.79","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 O10 -","- C54 H50 N2 O10 -","- C216 H200 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0633","0.039","","","0.0943","0.1011","","","","","","0.871","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224429","9.7558","0.0002","10.5549","0.0002","16.5111","0.0004","90","","112.447","0.002","90","","1571.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Eu N O12 P -","- C8 H15 Eu N O12 P -","- C32 H60 Eu4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0593","0.0612","","","","","","1.025","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224430","9.7306","0.0019","10.53","0.002","16.416","0.005","90","","112.13","0.02","90","","1558.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Gd N O12 P -","- C8 H15 Gd N O12 P -","- C32 H60 Gd4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0606","0.0614","","","","","","1.153","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224431","9.7284","0.0003","10.4717","0.0003","16.4594","0.0006","90","","112.511","0.003","90","","1549.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O12 P Tb -","- C8 H15 N O12 P Tb -","- C32 H60 N4 O48 P4 Tb4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0243","0.022","","","0.0541","0.0552","","","","","","1.092","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224432","9.7192","0.0002","10.4517","0.0002","16.4217","0.0004","90","","112.58","0.002","90","","1540.28","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Dy N O12 P -","- C8 H15 Dy N O12 P -","- C32 H60 Dy4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0264","0.0239","","","0.0605","0.0618","","","","","","1.07","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224433","9.7216","0.0003","10.4273","0.0003","16.4046","0.0006","90","","112.678","0.003","90","","1534.37","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ho N O12 P -","- C8 H15 Ho N O12 P -","- C32 H60 Ho4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0251","0.0228","","","0.0552","0.0568","","","","","","1.016","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224439","15.198","0.003","15.38","0.004","16.755","0.004","79.01","0.03","69.01","0.03","60.419","0.018","3179.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.2324","0.1877","","","0.4038","0.4518","","","","","","2.114","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224440","16.467","0.004","16.942","0.005","26.1","0.007","81.578","0.009","83.78","0.011","85.515","0.012","7146","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H148 F24 N4 O24 P4 -","- C128 H148 F24 N4 O24 P4 -","- C256 H296 F48 N8 O48 P8 -","2","1","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.23","0.1657","","","0.38","0.4074","","","","","","1.656","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224441","15.07","0.004","15.155","0.003","16.795","0.004","69.85","0.02","78.78","0.02","60.465","0.016","3131.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1697","0.135","","","0.3082","0.3333","","","","","","1.433","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224442","15.109","0.003","15.144","0.003","16.813","0.003","79.04","0.03","69.65","0.03","60.46","0.03","3137.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1569","0.1348","","","0.3371","0.3623","","","","","","2.13","","","","has coordinates,has disorder","185187","2020-10-21","18:00:00",""
"7224443","7.0536","0.0019","9.661","0.003","18.08","0.005","84.809","0.005","78.965","0.005","80.563","0.005","1190.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 N6 O3 Sm -","- C20 H24 Cl3 N6 O3 Sm -","- C40 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.028","0.0254","","","0.0618","0.063","","","","","","1.093","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224444","7.0374","0.0007","9.4788","0.001","20.619","0.002","93.687","0.003","99.462","0.003","98.885","0.002","1334.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N6 O3 Sm -","- C24 H24 Cl3 N6 O3 Sm -","- C48 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0375","0.0297","","","0.0755","0.0928","","","","","","1.194","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224445","7.8039","0.0008","12.3957","0.0013","12.9005","0.0014","75.916","0.002","75.023","0.002","82.22","0.002","1165.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Erdpq1","","","- C20 H22 Cl3 Er N6 O2 -","- C20 H22 Cl3 Er N6 O2 -","- C40 H44 Cl6 Er2 N12 O4 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0679","0.0652","","","0.2077","0.2089","","","","","","1.381","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224448","8.5984","0.0006","9.9463","0.0007","10.6576","0.0006","100.46","0.005","108.911","0.005","92.653","0.005","842.5","0.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","1","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0558","0.0426","","","0.0962","0.101","","","","","","1.017","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224450","13.498","0.0005","12.6484","0.0006","15.9441","0.0006","90","","107.628","0.004","90","","2594.28","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N20 O8 -","- C46 H40 Cd4 N20 O8 -","- C92 H80 Cd8 N40 O16 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0513","0.0303","","","0.0596","0.0649","","","","","","0.978","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224452","13.479","0.0009","12.6998","0.0006","15.9841","0.0013","90","","106.524","0.008","90","","2623.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cd4 N12 O12 -","- C50 H40 Cd4 N12 O12 -","- C100 H80 Cd8 N24 O24 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0835","0.0561","","","0.1395","0.1556","","","","","","1.029","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224453","13.4664","0.0006","12.4449","0.0005","16.1614","0.0007","90","","100.398","0.005","90","","2664","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N16 O14 -","- C46 H40 Cd4 N16 O14 -","- C92 H80 Cd8 N32 O28 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0549","0.0376","","","0.086","0.0947","","","","","","1.058","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224454","13.3914","0.0006","12.5725","0.0005","16.135","0.0009","90","","101.274","0.004","90","","2664.1","0.2","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C96 H80 Cd8 N24 O32 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0773","0.0592","","","0.1523","0.1677","","","","","","1.046","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224456","39.7415","0.0016","14.3866","0.0006","15.6815","0.0006","90","","103.11","0.0016","90","","8732.1","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 I2 O4 -","- C40 H46 I2 O4 -","- C320 H368 I16 O32 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.0918","0.0809","","0.23","0.2139","0.23","","","","","","0.9725","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224459","13.23816","0.00015","35.6977","0.0007","30.7491","0.0004","90","","91.61","0.0012","90","","14525.4","0.4","120","","120","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C169 H198 Cl2 O26 -","- C169 H198 Cl2 O26 -","- C676 H792 Cl8 O104 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.1144","0.0919","","0.1617","0.1535","0.1616","","","","","","0.9319","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224468","22.595","0.0003","25.026","0.0003","25.1004","0.0003","90","","109.726","0.001","90","","13360.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C209 H309 Cl2 N11 Nd10 O86 P4 S16 -","- C190 H220 Cl2 N8 Nd10 O76 P4 S16 -","- C380 H440 Cl4 N16 Nd20 O152 P8 S32 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0455","0.0371","","","0.0965","0.102","","","","","","1.018","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224469","22.16","0.0002","39.5294","0.0004","32.4297","0.0003","90","","105.798","0.001","90","","27334.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C215 H309 Cl3 N19 Nd11 O81 P6 S12 -","- C204 H272 Cl3 N16 Nd11 O76 P6 S12 -","- C816 H1088 Cl12 N64 Nd44 O304 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0906","0.0663","","","0.1667","0.179","","","","","","1.055","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224470","23.9081","0.0004","26.1353","0.0005","43.1391","0.0005","72.952","0.001","75.918","0.001","63.911","0.002","22938.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C326 H491 N23 Nd19 O159 P5 S20 -","- C279 H234 N12 Nd19 O134 P5 S20 -","- C558 H468 N24 Nd38 O268 P10 S40 -","2","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.1097","0.0662","","","0.181","0.1996","","","","","","1.074","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224479","27.509","0.003","7.6304","0.0008","16.2294","0.0017","90","","119.061","0.005","90","","2977.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C112 H80 N24 O32 Zn8 -","8","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0416","0.0342","","","0.092","0.0948","","","","","","1.057","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224480","10.2372","0.0003","27.0204","0.0007","8.738","0.0002","90","","95.568","0.001","90","","2405.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O7 Zn -","- C25 H23 N5 O7 Zn -","- C100 H92 N20 O28 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.069","0.0567","","","0.1376","0.1523","","","","","","1.15","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224481","11.3869","0.0005","8.3323","0.0004","13.9637","0.0006","90","","96.31","0.003","90","","1316.84","0.1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 N4 O6 Zn -","- C20 H14 N4 O6 Zn -","- C40 H28 N8 O12 Zn2 -","2","0.5","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0519","0.0415","","","0.1078","0.1115","","","","","","1.084","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224482","12.8815","0.0009","15.2513","0.0011","14.1699","0.001","90","","92.331","0.004","90","","2781.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0847","0.0469","","","0.1077","0.1175","","","","","","0.966","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224483","12.486","0.001","14.7786","0.001","13.7673","0.001","90","","104.077","0.003","90","","2464.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br N4 O18 S2 -","- C52 H50 Br N4 O18 S2 -","- C104 H100 Br2 N8 O36 S4 -","2","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0672","0.0386","","","0.0888","0.1009","","","","","","1.013","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224488","12.1281","0.0002","16.5109","0.0003","23.7085","0.0005","90","","93.5049","0.001","90","","4738.65","0.15","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Cd N3 O19 -","- C47 H52 Cd N3 O19 -","- C188 H208 Cd4 N12 O76 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0825","0.0439","","","0.0946","0.1123","","","","","","1","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224489","12.487","0.0006","16.035","0.0008","23.5332","0.0012","90","","94.808","0.0017","90","","4695.4","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 N3 O19 Zn -","- C47 H52 N3 O19 Zn -","- C188 H208 N12 O76 Zn4 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1814","0.0677","","","0.1422","0.1848","","","","","","0.985","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224490","11.9508","0.0016","17.898","0.002","16.975","0.002","90","","93.774","0.005","90","","3623","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu2 N6 O15 -","- C34 H36 Cu2 N6 O15 -","- C136 H144 Cu8 N24 O60 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1744","0.09","","","0.1969","0.232","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224491","12.7183","0.0004","14.0183","0.0005","16.7134","0.0006","90","","110.776","0.0018","90","","2786.06","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N O2.17 Zn -","- C13 H10 Cl2 N O2.16665 Zn -","- C104 H80 Cl16 N8 O17.3332 Zn8 -","8","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0703","0.0507","","","0.1601","0.1778","","","","","","1.062","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224492","8.1476","0.0017","8.2521","0.0018","12.398","0.003","80.843","0.008","72.38","0.007","67.642","0.007","733.8","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0966","0.0484","","","0.0942","0.1058","","","","","","0.989","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","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, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224500","7.372","0.004","21.35","0.011","9.953","0.006","90","","105.79","0.009","90","","1507.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[ZnCl(N3)(tzmb)]n","","","- C12 H10 Cl N9 Zn -","- C12 H10 Cl N9 Zn -","- C48 H40 Cl4 N36 Zn4 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0405","0.0376","","","0.1","0.1021","","","","","","1.043","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224501","8.026","0.002","16.449","0.004","12.895","0.003","90","","102.776","0.008","90","","1660.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2Cl3(OH)(tzmb)]n","","","- C12 H11 Cl3 N6 O Zn2 -","- C12 H11 Cl3 N6 O Zn2 -","- C48 H44 Cl12 N24 O4 Zn8 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0627","0.0476","","","0.1176","0.125","","","","","","1.003","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224502","8.9251","0.0007","9.9975","0.0008","16.7168","0.0013","90","","90.338","0.006","90","","1491.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd2(N3)2(C2O4)(tzmb)2]n","","","- C26 H20 Cd2 N18 O4 -","- C26 H20 Cd2 N18 O4 -","- C52 H40 Cd4 N36 O8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0306","0.0267","","","0.0647","0.0682","","","","","","1.108","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224507","9.261","0.003","10.162","0.003","21.929","0.007","90","","95.901","0.007","90","","2052.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B N2 O2 -","- C26 H19 B N2 O2 -","- C104 H76 B4 N8 O8 -","4","1","","Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang","Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes","CrystEngComm","2016","18","23","4382","","10.1039/C6CE00066E","","","0.71073","MoKα","","0.1326","0.0733","","","0.1669","0.2018","","","","","","0.987","","","","has coordinates","185281","2020-10-21","18:00:00",""
"7224508","10.9419","0.0004","11.4047","0.0005","14.4901","0.0007","97.473","0.004","107.198","0.004","105.458","0.004","1621.47","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0449","0.0356","","","0.0885","0.0934","","","","","","1.043","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224509","12.5634","0.0005","10.1057","0.0005","18.1729","0.0009","90","","105.024","0.005","90","","2228.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu4 N10 O18 -","- C38 H46 Cu4 N10 O18 -","- C76 H92 Cu8 N20 O36 -","2","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0489","0.0365","","","0.0832","0.0889","","","","","","1.008","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224510","10.1345","0.0007","10.674","0.0007","11.4983","0.0009","98.733","0.006","113.119","0.007","92.033","0.005","1124.48","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0556","0.039","","","0.0786","0.0855","","","","","","1.004","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224511","33.52","0.003","11.8717","0.0009","16.0987","0.0013","90","","105.855","0.002","90","","6162.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.13 H3.02 Br0.26 N0.55 O0.04 -","- C2.12766 H2.89362 Br0.255319 N0.553191 O0.0425532 -","- C200 H272 Br24 N52 O4 -","94","11.75","","Chen, Fei-Jian; Gao, Zi-Hao; Liang, Li-Li; Zhang, Jun; Du, Hong-Bin","Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents","CrystEngComm","2016","18","15","2735","","10.1039/C5CE02312B","","","0.71073","MoKα","","0.1202","0.0553","","","0.1496","0.173","","","","","","1.072","","","","has coordinates","182647","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224515","10.3322","0.001","16.8462","0.001","22.134","0.002","84.603","0.002","84.385","0.003","74.788","0.003","3690.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1403","0.0496","","","0.0911","0.1157","","","","","","1.001","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224516","10.1821","0.0006","23.1916","0.0014","28.6186","0.0017","74.602","0.001","85.683","0.001","81.596","0.001","6440.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C133 H122 N24 Ni4 S8 -","- C133 H112 N24 Ni4 S8 -","- C266 H224 N48 Ni8 S16 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1735","0.1101","","","0.263","0.2973","","","","","","1.033","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224517","10.4819","0.0009","16.8458","0.0014","22.569","0.0019","100.059","0.002","100.131","0.002","102.908","0.002","3727.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) phenanthrene.benzene","","- C80 H72 N12 Ni2 S4 -","- C80 H72 N12 Ni2 S4 -","- C160 H144 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0663","0.0445","","","0.1122","0.1254","","","","","","1.022","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224518","10.3117","0.0008","16.8992","0.0014","22.3886","0.0017","81.874","0.002","83.128","0.002","76.007","0.001","3732.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene","","- C38.75 H34.25 N6 Ni S2 -","- C38.7499 H34.25 N6 Ni S1.9999 -","- C155 H137 N24 Ni4 S7.9996 -","4","2","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1261","0.0561","","","0.1454","0.1808","","","","","","1.007","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224519","10.1289","0.0004","16.477","0.0009","20.6537","0.001","100.43","0.002","97.129","0.003","105.351","0.003","3214.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene","","- C67 H56 N12 Ni2 S4 -","- C67 H56 N12 Ni2 S4 -","- C134 H112 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1188","0.0666","","","0.1707","0.1974","","","","","","1.031","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224520","10.9587","0.0007","12.1349","0.0008","19.7621","0.0012","93.907","0.001","91.426","0.001","97.878","0.001","2595.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol","","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0461","0.0365","","","0.1056","0.1138","","","","","","1.027","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224527","27.9705","0.0015","27.9705","0.0015","27.9705","0.0015","90","","90","","90","","21883","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 N3 O18 Tb2 -","- C42 H42 Cl3 N3 O18 Tb2 -","- C672 H672 Cl48 N48 O288 Tb32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0578","0.0517","","","0.1575","0.1616","","","","","","1.01","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224528","28.0835","0.0018","28.0835","0.0018","28.0835","0.0018","90","","90","","90","","22149","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H45 Cl3 N3 O18 Sm2 -","- C42 H39 Cl3 N3 O18 Sm2 -","- C672 H624 Cl48 N48 O288 Sm32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0647","0.0587","","","0.1858","0.1899","","","","","","1.143","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224529","27.8574","0.0012","27.8574","0.0012","27.8574","0.0012","90","","90","","90","","21618.3","1.6","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7 Cl0.5 Er0.33 N0.5 O3 -","- C7 H7 Cl0.5 Er0.333333 N0.5 O3 -","- C672 H672 Cl48 Er32 N48 O288 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0479","0.042","","","0.1253","0.1277","","","","","","1.169","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224530","27.9996","0.0006","27.9996","0.0006","27.9996","0.0006","90","","90","","90","","21951.1","0.8","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 Gd2 N3 O18 -","- C42 H42 Cl3 Gd2 N3 O18 -","- C672 H672 Cl48 Gd32 N48 O288 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0577","0.0492","","","0.1354","0.1395","","","","","","1.178","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224531","27.849","0.002","27.849","0.002","27.849","0.002","90","","90","","90","","21599","3","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7.67 Cl0.5 N0.5 O3.33 Yb0.33 -","- C7 H7.6666 Cl N0.5 O3.3333 Yb0.333333 -","- C672 H735.994 Cl96 N48 O319.997 Yb32 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0633","0.0579","","","0.1869","0.1928","","","","","","1.103","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224532","12.7068","0.0018","13.1565","0.0016","17.082","0.003","73.022","0.004","83.299","0.005","63.09","0.004","2435.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H76 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0509","0.0444","","","0.1342","0.1455","","","","","","1.077","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224533","12.0203","0.0002","14.7565","0.0004","16.2297","0.0004","95.69","0.002","109.65","0.002","92.242","0.002","2689.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H108 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0365","0.0297","","","0.0714","0.0756","","","","","","1.048","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224534","11.9641","0.0003","12.0257","0.0004","16.0944","0.0005","102.457","0.003","96.489","0.003","113.464","0.003","2022.34","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H80 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0513","0.0454","","","0.0955","0.0998","","","","","","1.029","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224535","7.4761","0.0005","18.313","0.0014","25.1258","0.0018","90","","93.708","0.002","90","","3432.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O6 S Zn -","- C38 H27 N5 O6 S Zn -","- C152 H108 N20 O24 S4 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1323","0.0521","","","0.1112","0.1518","","","","","","0.989","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224536","12.2467","0.0019","19.625","0.003","13.998","0.002","90","","97.063","0.004","90","","3338.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N5 O4 Zn -","- C36 H25 N5 O4 Zn -","- C144 H100 N20 O16 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1544","0.0687","","","0.1879","0.2451","","","","","","0.987","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224537","10.015","0.007","11.864","0.009","12.319","0.009","98.31","0.014","99.091","0.014","91.291","0.014","1428.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0606","0.0383","","","0.0976","0.1168","","","","","","1.106","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224538","12.4152","0.0009","9.8806","0.0007","27.299","0.002","90","","97.276","0.002","90","","3321.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H58 N10 O8 Zn2 -","- C80 H58 N10 O8 Zn2 -","- C160 H116 N20 O16 Zn4 -","2","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1373","0.0545","","","0.1286","0.1844","","","","","","1.035","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224539","16.8782","0.0007","21.3492","0.0009","20.0506","0.0011","90","","112.197","0.001","90","","6689.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 Cd N5 O6 -","- C38 H27 Cd N5 O6 -","- C304 H216 Cd8 N40 O48 -","8","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.057","0.0325","","","0.0862","0.1157","","","","","","1.119","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224540","9.7159","0.0019","11.154","0.002","16.493","0.003","72.729","0.003","78.866","0.004","85.786","0.004","1674.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0734","0.0459","","","0.124","0.1509","","","","","","1.08","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224541","9.8926","0.0016","13.378","0.002","19.747","0.003","97.526","0.003","100.724","0.003","97.005","0.003","2516.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 Cd3 N12 O14 -","- C90 H62 Cd3 N10 O12 -","- C90 H62 Cd3 N10 O12 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0857","0.0609","","","0.1801","0.1905","","","","","","1.025","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224542","18.2405","0.0016","35.036","0.002","22.8447","0.0014","90","","101.071","0.008","90","","14327.8","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N8 Na4 O116 P2 W18 Yb2 -","- C56 H64 N8 Na4 O116 P2 W18 Yb2 -","- C224 H256 N32 Na16 O464 P8 W72 Yb8 -","4","0.5","","Reddy, Pulikanti Guruprasad; Mamidi, Narsimha; Pradeep, Chullikkattil P.","An organic–inorganic hybrid supramolecular framework material based on a [P2W18O62]6−cluster and Yb & Na complexes of pyridine-2,6-dicarboxylic acid: a catalyst for selective oxidation of sulfides in water with H2O2","CrystEngComm","2016","18","23","4272","","10.1039/C5CE02546J","","","0.71073","MoKα","","0.1233","0.0849","","","0.2288","0.2872","","","","","","1.048","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224551","11.6287","0.0003","8.0502","0.0002","23.5159","0.0006","90","","103.876","0.003","90","","2137.16","0.1","185","0.1","185","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co N10 O8 -","- C48 H32 Co N10 O8 -","- C96 H64 Co2 N20 O16 -","2","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0496","0.0442","","","0.1167","0.1215","","","","","","1.037","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224552","6.702","0.0003","11.4636","0.0004","17.2245","0.0006","106.65","0.003","91.064","0.004","98.714","0.004","1250.54","0.09","185","0.1","185","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","1","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0886","0.0909","","","","","","1.05","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224553","11.844","0.005","18.268","0.008","16.34","0.007","90","","103.291","0.005","90","","3441","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl4 Fe N2 -","- C34 H39 Cl4 Fe N2 -","- C136 H156 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.1665","0.1078","","","0.3086","0.3658","","","","","","0.948","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224555","17.33","0.03","11.523","0.017","14.65","0.02","90","","106.739","0.017","90","","2802","7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","0.5","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.0889","0.0539","","","0.1376","0.1607","","","","","","1","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224556","13.295","0.011","14.652","0.013","15.117","0.013","90","","103.464","0.016","90","","2864","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N4 O12 Zn2 -","- C28 H17 N4 O12 Zn2 -","- C112 H68 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1273","0.0681","","","0.1756","0.21","","","","","","0.879","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224557","7.9827","0.0003","14.5526","0.0005","22.379","0.0011","90","","102.608","0.005","90","","2537.06","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O12 Zn2 -","- C26 H12 N4 O12 Zn2 -","- C104 H48 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1568","0.1465","","","0.2996","0.3159","","","","","","1.137","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224558","11.5833","0.0005","11.7884","0.0005","13.8783","0.0006","96.027","0.008","92.924","0.006","107.066","0.009","1794.92","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 N6 O12 Zn -","- C40 H22 N6 O12 Zn -","- C80 H44 N12 O24 Zn2 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1775","0.1124","","","0.2373","0.3151","","","","","","1.069","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224559","13.0719","0.0006","22.534","0.0011","16.8938","0.0008","90","","99.908","0.001","90","","4902.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 Cd3 N4 O27 -","- C32 H8 Cd3 N4 O27 -","- C128 H32 Cd12 N16 O108 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0461","0.0369","","","0.1145","0.1204","","","","","","1.008","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224560","7.52","0.007","15.85","0.015","22.8","0.02","90","","90.031","0.017","90","","2718","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cd2 N5 O12 -","- C26 H13 Cd2 N5 O12 -","- C104 H52 Cd8 N20 O48 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0977","0.0607","","","0.1481","0.1652","","","","","","1.032","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224561","9.8097","0.0014","11.9458","0.0017","13.1508","0.0019","99.002","0.002","93.161","0.002","110.61","0.002","1414.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Ag2 N4 O12 -","- C29 H20 Ag2 N4 O12 -","- C58 H40 Ag4 N8 O24 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0517","0.0466","","","0.1522","0.1727","","","","","","1.022","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224562","9.782","0.005","13.006","0.007","16.517","0.009","105.994","0.009","93.197","0.008","109.106","0.009","1884","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co2 N6 O14 -","- C40 H24 Co2 N6 O14 -","- C80 H48 Co4 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0971","0.0691","","","0.1731","0.247","","","","","","1.016","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224563","9.7979","0.0014","12.993","0.0018","16.45","0.002","106.174","0.002","93.467","0.002","108.962","0.002","1875.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N6 Ni2 O14 -","- C40 H24 N6 Ni2 O14 -","- C80 H48 N12 Ni4 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0942","0.0622","","","0.1482","0.227","","","","","","1.006","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224564","10.059","0.002","11.605","0.003","16.86","0.004","77.458","0.004","79.847","0.004","79.381","0.004","1869.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Co N6 O14 -","- C40 H22 Co N6 O14 -","- C80 H44 Co2 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1228","0.0786","","","0.2095","0.3123","","","","","","0.97","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224565","13.23","0.002","14.587","0.003","15.124","0.003","90","","98.618","0.003","90","","2885.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 O12 Zn2 -","- C28 H14 N4 O12 Zn2 -","- C112 H56 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0954","0.0826","","","0.2185","0.2311","","","","","","1.054","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224573","8.044","0.002","9.357","0.002","9.822","0.002","111.23","0.002","107.301","0.002","104.268","0.002","603.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","1","0.5","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0324","0.0321","","","0.0901","0.0904","","","","","","1.085","","","","has coordinates,has disorder","182640","2020-10-21","18:00:00",""
"7224574","10.649","0.004","10.677","0.004","10.799","0.004","94.771","0.004","100.757","0.004","95.748","0.004","1193.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C12 H68 Cu2 N8 O40 S8 -","2","1","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0276","0.0261","","","0.0764","0.0786","","","","","","1.032","","","","has coordinates","182640","2020-10-21","18:00:00",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","182655","2020-10-21","18:00:00",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","182655","2020-10-21","18:00:00",""
"7224582","10.2312","0.001","11.0797","0.0012","16.1049","0.001","95.135","0.007","92.045","0.006","113.333","0.01","1664.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Mg1.5 N2 O12 -","- C33 H31 Mg1.5 N2 O12 -","- C66 H62 Mg3 N4 O24 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0744","0.0514","","","0.1158","0.1292","","","","","","1.016","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224583","11.6875","0.0012","12.7337","0.001","16.6287","0.0007","107.084","0.006","106.16","0.007","98.287","0.008","2202.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Mg1.5 N2 O11 -","- C35 H33 Mg1.5 N2 O11 -","- C70 H66 Mg3 N4 O22 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0965","0.0671","","","0.1896","0.2108","","","","","","1.013","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224584","14.6854","0.0004","17.3507","0.0007","17.565","0.0008","71.291","0.004","75.262","0.003","66.322","0.003","3841.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Ca2.5 N2 O21 -","- C72 H70 Ca2.5 N2 O21 -","- C144 H140 Ca5 N4 O42 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0835","0.0555","","","0.1526","0.1678","","","","","","1.028","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224585","16.1122","0.0008","19.1301","0.0006","19.9491","0.0006","113.359","0.003","103.862","0.004","91.934","0.003","5423","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H85 Ca3 N3 O23 -","- C78 H85 Ca3 N3 O23 -","- C156 H170 Ca6 N6 O46 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.1331","0.0889","","","0.2663","0.3045","","","","","","1.004","","","","has coordinates,has disorder","182649","2020-10-21","18:00:00",""
"7224586","7.9089","0.0004","11.4057","0.0006","12.6968","0.0006","65.743","0.002","77.931","0.002","85.251","0.002","1021.13","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H16 N2 O6 Pb S -","- C21 H16 N2 O6 Pb S -","- C42 H32 N4 O12 Pb2 S2 -","2","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.0175","0.0167","","","0.0407","0.041","","","","","","1.067","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224587","47.233","0.006","11.4571","0.0017","25.455","0.004","90","","119.856","0.007","90","","11947","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C62 H62 N10 O14 S2 Zn2 -","- C62 H62 N10 O14 S2 Zn2 -","- C496 H496 N80 O112 S16 Zn16 -","8","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.1626","0.111","","","0.2781","0.3087","","","","","","1.089","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224588","21.368","0.0011","14.5156","0.0009","18.5708","0.0009","90","","105.412","0.005","90","","5553","0.5","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cp1","","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C232 H192 Cl8 Cu8 N24 O8 P8 S8 -","4","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","0.71073","MoKα","","0.075","0.055","","","0.17","0.183","","","","","","1.117","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224589","14.862","0.0003","9.93191","0.00019","18.7016","0.0004","90","","99.793","0.002","90","","2720.28","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","CuCl 542","","- C29 H24 Cl Cu N3 O P S -","- C29 H24 Cl Cu N3 O P S -","- C116 H96 Cl4 Cu4 N12 O4 P4 S4 -","4","1","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0669","0.0378","","","0.0852","0.1325","","","","","","1.142","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224590","8.6008","0.0002","11.9216","0.0004","13.5031","0.0004","98.28","0.003","90.093","0.002","94.468","0.002","1365.83","0.07","173","","173","","","","","","","","","8","P -1","-P 1","2","","CuCl 556","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.032","0.0279","","","0.0731","0.0758","","","","","","1.045","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224591","8.6337","0.0006","13.7145","0.001","14.4014","0.0012","70.112","0.007","83.697","0.006","71.99","0.006","1524.9","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp3","","","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0517","0.0427","","","0.1074","0.114","","","","","","0.998","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224592","8.5296","0.0009","13.6245","0.0018","14.4843","0.0017","69.313","0.011","83.252","0.009","72.076","0.01","1498.2","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp2","","","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0994","0.0653","","","0.1665","0.1845","","","","","","1.088","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224603","10.2549","0.0012","11.3783","0.0013","16.1872","0.0018","72.094","0.003","76.795","0.003","86.411","0.003","1749.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H54 N4 O18 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","1","0.5","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1102","0.0656","","","0.1625","0.1907","","","","","","0.98","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224604","16.1582","0.0011","15.99","0.001","16.2334","0.001","90","","90.681","0.002","90","","4193.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N3 Ni2 O15 Si -","- C37 H23 N3 Ni2 O15.296 Si -","- C148 H92 N12 Ni8 O61.184 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0679","0.0524","","","0.1604","0.175","","","","","","0.955","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224605","10.4707","0.0009","24.487","0.002","17.3547","0.0016","90","","91.331","0.002","90","","4448.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Co2 N O13 Si -","- C31 H23 Co2 N O13 Si -","- C124 H92 Co8 N4 O52 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0745","0.0501","","","0.1282","0.1376","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224606","12.2029","0.0013","13.6985","0.0016","14.853","0.0017","104.571","0.002","107.562","0.002","102.41","0.002","2174.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Co2 N3 O11.5 Si -","- C43 H24 Co2 N3 O11.5 Si -","- C86 H48 Co4 N6 O23 Si2 -","2","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1022","0.0736","","","0.228","0.255","","","","","","1.055","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224607","16.5492","0.0019","14.8523","0.0015","17.7313","0.0018","90","","112.758","0.002","90","","4018.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N3 O10 Si Zn2 -","- C36 H27 N3 O10 Si Zn2 -","- C144 H108 N12 O40 Si4 Zn8 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0866","0.064","","","0.2043","0.2227","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224608","28.9402","0.0009","4.8707","0.0002","17.3118","0.0006","90","","107.785","0.002","90","","2323.63","0.15","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C104 H128 N8 O16 -","4","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.0568","0.0528","","","0.1502","0.1521","","","","","","1.213","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224609","18.8248","0.001","4.6921","0.0003","21.4035","0.0011","90","","100.903","0.003","90","","1856.4","0.18","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 -","- C42 H64 N2 O4 -","- C84 H128 N4 O8 -","2","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.068","0.0446","","","0.11","0.1234","","","","","","1.013","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224610","10.5851","0.0004","10.7883","0.0005","12.8727","0.0008","73.878","0.002","67.677","0.002","81.16","0.002","1304.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0278","0.0234","","","0.0549","0.0559","","","","","","1.088","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224611","10.7673","0.0009","11.0209","0.001","13.0918","0.0011","105.064","0.002","94.854","0.003","93.847","0.003","1488.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]","","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0783","0.0519","","","0.1016","0.1082","","","","","","1.021","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224612","24.5907","0.0008","17.8811","0.0008","25.0765","0.0009","90","","104.335","0.002","90","","10683","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C39 H37 Dy2 N7 O16 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","1","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0328","0.0251","","","0.0591","0.0614","","","","","","1.053","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7224614","7.7346","0.0007","14.8899","0.0013","23.801","0.002","90","","94.674","0.009","90","","2732","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.085","0.0531","","","0.0963","0.1089","","","","","","1.054","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224615","7.7581","0.0014","15.139","0.003","23.695","0.006","90","","93.796","0.018","90","","2776.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.1048","0.0611","","","0.106","0.1217","","","","","","1.044","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224616","7.9867","0.0004","14.6323","0.0006","28.1005","0.0015","90","","93.36","0.005","90","","3278.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0709","0.0603","","","0.1497","0.1599","","","","","","1.066","","","","has coordinates","181618","2020-10-21","18:00:00",""
"7224617","8.0689","0.0004","14.7987","0.0006","28.0208","0.0012","90","","92.552","0.004","90","","3342.6","0.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0745","0.0591","","","0.1481","0.1636","","","","","","1.04","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224618","8.6431","0.0003","12.538","0.0005","16.8933","0.0007","100.234","0.003","97.965","0.003","101.09","0.003","1739.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)bis-(1,2-dichloroethane) solvate","","- C34 H24 Cl4 Fe N10 S2 -","- C34 H24 Cl4 Fe N10 S2 -","- C68 H48 Cl8 Fe2 N20 S4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0496","0.042","","","0.1074","0.1125","","","","","","1.037","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224619","13.329","0.0009","16.1844","0.0009","17.3536","0.0008","90","","110.324","0.007","90","","3510.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0462","0.0375","","","0.0896","0.0953","","","","","","1.018","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224620","13.526","0.0006","16.3143","0.0006","17.8163","0.0008","90","","110.291","0.005","90","","3687.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0733","0.0464","","","0.1117","0.128","","","","","","1.01","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224621","24.6343","0.0009","21.2193","0.0004","18.1944","0.0005","90","","104.239","0.003","90","","9218.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate","","- C54 H30 Cl2 Fe N12 O8 -","- C54 H30 Cl2 Fe N12 O8 -","- C432 H240 Cl16 Fe8 N96 O64 -","8","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.6998","synchrotron","","0.0856","0.0637","","","0.1646","0.1819","","","","","","1.024","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224622","9.7973","0.0002","23.8139","0.0008","27.5891","0.0006","95.037","0.002","98.452","0.002","93.612","0.002","6323.5","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Tris[dipyrido[3,2-a:23-c]benzo[i]phenazine]iron(II) di-tetrafluoroborate hydrate tris-methanol solvate","","- C69 H50 B2 F8 Fe N12 O4 -","- C67.5 H42 B2 F8 Fe N12 O2.2 -","- C270 H168 B8 F32 Fe4 N48 O8.8 -","4","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.1237","0.0851","","","0.2313","0.2698","","","","","","1.036","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224623","13.3521","0.0004","16.1985","0.0005","17.4429","0.0004","90","","110.287","0.003","90","","3538.6","0.19","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0513","","","0.129","0.1445","","","","","","1.021","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224624","13.4396","0.0003","16.2494","0.0003","17.5932","0.0004","90","","110.306","0.002","90","","3603.32","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0491","","","0.1222","0.1389","","","","","","1.027","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224625","13.4781","0.0009","16.2943","0.0012","17.6998","0.0012","90","","110.31","0.008","90","","3645.5","0.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0923","0.0589","","","0.1517","0.186","","","","","","1.031","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224626","9.1639","0.0009","21.32","0.002","10.0007","0.001","90","","109.652","0.001","90","","1840.1","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21.18 N2 O2.59 -","- C22 H21.178 N2 O2.589 -","- C88 H84.712 N8 O10.356 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0522","0.0444","","","0.1025","0.1072","","","","","","1.083","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224629","12.224","0.0003","13.6903","0.0003","14.0756","0.0009","90.71","0.006","105.688","0.007","90.843","0.006","2267.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Gd2 Na2 O67.07 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","1","0.5","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.0457","0.0443","","","0.1102","0.111","","","","","","1.12","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224630","16.504","0.004","23.227","0.003","38.406","0.007","73.798","0.012","80.363","0.016","85.658","0.015","13932","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H96 O195 S24 Tb8 -","- C168 H96 O195 S24 Tb8 -","- C336 H192 O390 S48 Tb16 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1324","0.0838","","","0.2125","0.2453","","","","","","0.823","","","","has coordinates","185201","2020-10-21","18:00:00",""
"7224631","11.9482","0.001","12.3059","0.0008","15.2457","0.0012","68.694","0.005","77.073","0.006","89.16","0.006","2030","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 O23 S4 -","- C29 H32 Cl2 O23 S4 -","- C58 H64 Cl4 O46 S8 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1462","0.0676","","","0.1521","0.176","","","","","","0.828","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224632","9.4916","0.0009","18.1887","0.0017","22.275","0.002","91.579","0.001","97.329","0.001","102.755","0.001","3713.8","0.6","173","2","173","2","","","","","","","No.","5","P -1","-P 1","2","pCF3DTDA","4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C128 H64 F48 N32 S32 -","16","8","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.1396","0.054","","","0.093","0.1185","","","","","","0.973","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224633","11.4543","0.001","11.7399","0.001","13.948","0.0012","73.364","0.001","73.247","0.001","82.579","0.001","1718.6","0.3","263","2","263","2","","","101","","","","","6","P -1","-P 1","2","4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1","2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine","","- C34 H23 F6 N4 S4 Sb -","- C34 H23 F6 N4 S4 Sb -","- C68 H46 F12 N8 S8 Sb2 -","2","1","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0789","0.0864","","","","","","1.054","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224634","31.614","0.002","14.2436","0.0004","24.503","0.001","90","","124.645","0.007","90","","9077.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47 Br3 Cl2 N6 O3 -","- C43 H47 Br3 Cl2 N6 O3 -","- C344 H376 Br24 Cl16 N48 O24 -","8","1","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","0.71073","MoKα","","0.0733","0.0448","","","0.0817","0.0911","","","","","","1.02","","","","has coordinates,has disorder","185205","2020-10-21","18:00:00",""
"7224635","14.1389","0.0002","20.7594","0.0002","32.7591","0.0004","90","","100.665","0.001","90","","9449.2","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 N7 O3 -","- C46 H55.5 N6.5 O3 -","- C368 H444 N52 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0632","0.054","","","0.1496","0.1562","","","","","","1.037","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224636","17.3951","0.0003","26.2912","0.0004","27.8638","0.0005","90","","106.088","0.002","90","","12244.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H75 N7 O3 -","- C56 H75 N7 O3 -","- C448 H600 N56 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0754","0.0517","","","0.129","0.1392","","","","","","1.002","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224658","7.2055","0.0003","10.5292","0.0004","13.3705","0.0005","79.615","0.0014","75.18","0.0015","75.853","0.0015","943.38","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.025","","","0.0542","0.0574","","","","","","1.026","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224659","7.2017","0.0005","10.522","0.0007","13.3762","0.0009","79.622","0.003","75.172","0.003","75.896","0.003","942.78","0.11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C32 H40 Co0.24 N4 O24 Zn2.76 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0596","0.0384","","","0.0682","0.0743","","","","","","1.019","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224660","7.2538","0.0004","10.5659","0.001","13.3762","0.0009","79.593","0.007","75.556","0.005","75.382","0.007","953.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C32 H40 Co0.6 N4 O24 Zn2.4 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0392","0.0311","","","0.0738","0.0797","","","","","","1.029","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224661","7.2078","0.0003","10.5186","0.0004","13.3785","0.0005","79.506","0.0014","75.031","0.0015","75.782","0.0015","942.21","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.026","","","0.0547","0.0576","","","","","","1.062","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224692","14.0292","0.0009","5.0669","0.0004","14.7229","0.0011","90","","99.433","0.007","90","","1032.42","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.062","0.0567","","","0.1437","0.1476","","","","","","1.081","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224693","6.7362","0.0006","24.2039","0.0015","6.8686","0.0005","90","","112.293","0.009","90","","1036.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.0519","0.0411","","","0.0985","0.1073","","","","","","1.074","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224701","10.4247","0.0005","13.3796","0.0007","15.0146","0.0007","71.1","0.002","69.931","0.002","76.203","0.002","1841.79","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Ca2 Cd2 Cl8 N24 O25 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0461","0.0423","","","0.1188","0.1216","","","","","","1.039","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224702","10.694","0.019","13.459","0.023","15.1057","0.0027","99.314","0.028","107.545","0.018","105.669","0.018","1925","5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Cl8 N24 O32 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0782","0.0675","","","0.2033","0.2125","","","","","","1.076","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224703","15.676","0.003","17.177","0.004","20.2","0.004","92.786","0.003","105.91","0.003","116.818","0.003","4573.2","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H130 Ba2 Cd Cl6 N24 O51 -","- C44 H52 Ba2 Cd Cl6 N24 O19 -","- C88 H104 Ba4 Cd2 Cl12 N48 O38 -","2","1","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.1135","0.0594","","","0.1469","0.1651","","","","","","0.818","","","","has coordinates,has disorder","185204","2020-10-21","18:00:00",""
"7224724","5.947","0.003","8.068","0.008","13.411","0.005","90","","95.94","0.03","90","","640","0.8","296","2","296","2","350000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-dimethylbipyridinium dibromide","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.097","0.0879","","","0.2298","0.24","","","","","","1.041","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224725","4.8986","0.0006","7.6614","0.001","7.989","0.0009","70.464","0.011","87.005","0.01","77.176","0.011","275.44","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","44'-bipyridine hydrobromide","","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0193","0.0184","","","0.0448","0.0451","","","","","","1.045","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224726","4.8839","0.0015","7.622","0.005","7.951","0.004","70.87","0.06","86.78","0.04","77.39","0.05","272.8","0.3","296","2","296","2","10000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.067","0.0623","","","0.1467","0.1523","","","","","","1.211","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224727","4.874","0.004","7.567","0.006","7.936","0.004","70.73","0.06","86.64","0.05","77.47","0.07","269.7","0.4","296","2","296","2","20000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0535","0.0487","","","0.1178","0.1238","","","","","","1.048","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224728","4.845","0.0011","7.453","0.002","7.875","0.005","70.89","0.04","86.82","0.04","77.82","0.02","262.6","0.2","296","2","296","2","50000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0427","0.0332","","","0.0656","0.0693","","","","","","1.438","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224729","4.8011","0.0017","7.275","0.004","7.759","0.005","71.06","0.06","86.46","0.05","78.64","0.04","251.3","0.3","296","2","296","2","100000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.082","0.0511","","","0.1094","0.1273","","","","","","1.006","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224730","10.33","0.0006","12.704","0.0007","12.798","0.0006","102.776","0.002","99.919","0.002","108.779","0.002","1495.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71069","MoKα","","0.0226","0.0226","","","0.0402","0.0402","","","","","","0.987","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224731","7.031","0.005","14.975","0.005","13.892","0.005","90","","96.408","0.005","90","","1453.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0239","0.0239","","","0.0331","0.0331","","","","","","0.543","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224733","10.7694","0.0003","8.461","0.0003","11.3742","0.0003","90","","91.626","0.001","90","","1036","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0193","0.0193","","","0.0298","0.0298","","","","","","0.517","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224738","4.804","0.0003","9.8809","0.0007","10.0661","0.0009","75.987","0.001","81.807","0.002","79.391","0.001","453.26","0.06","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0986","0.0702","","","0.1731","0.1891","","","","","","1.0052","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224739","11.0031","0.0009","11.2217","0.0011","11.6959","0.0011","69.193","0.001","79.676","0.001","81.008","0.002","1321.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","1.54178","CuKα","","0.1899","0.0947","","","0.1871","0.2865","","","","","","1.032","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224740","23.432","0.002","9.5422","0.0008","18.9958","0.0017","90","","125.964","0.002","90","","3437.7","0.5","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O10 Zn -","- C32 H40 N4 O10 Zn -","- C128 H160 N16 O40 Zn4 -","4","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0842","0.0448","","","0.0941","0.1147","","","","","","1.009","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224741","10.4929","0.0013","11.1254","0.0012","16.981","0.002","90.561","0.006","96.469","0.007","99.986","0.006","1939","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PITE2","PITE2","","- C51 H51 N O -","- C51 H51 N O -","- C102 H102 N2 O2 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1148","0.058","","","0.1505","0.182","","","","","","1.001","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224742","9.1338","0.0002","13.6605","0.0002","16.0445","0.0003","90.823","0.001","91.397","0.001","101.432","0.001","1961.23","0.06","140","2","140","2","","","","","","","","3","P -1","-P 1","2","PITE1","PITE1","","- C51 H52 N2 -","- C51 H52 N2 -","- C102 H104 N4 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1221","0.0577","","","0.1193","0.148","","","","","","1.048","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224771","33.193","0.003","6.8956","0.0006","21.9291","0.0019","90","","114.468","0.002","90","","4568.5","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co N4 O8 -","- C58 H40 Co N4 O8 -","- C232 H160 Co4 N16 O32 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1471","0.0757","","","0.1402","0.1589","","","","","","1.045","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224772","32.836","0.003","14.4409","0.0013","14.228","0.0012","90","","101.308","0.002","90","","6615.7","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Co2 N10 O8 -","- C80 H58 Co2 N10 O8 -","- C320 H232 Co8 N40 O32 -","4","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1692","0.0774","","","0.1816","0.2048","","","","","","1.03","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224773","32.8","0.003","12.586","0.0011","16.0471","0.0014","90","","116.928","0.003","90","","5906.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H52 Co2 N12 O10 -","- C70 H52 Co2 N12 O10 -","- C280 H208 Co8 N48 O40 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.0844","0.0492","","","0.1045","0.1122","","","","","","1.066","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224774","27.805","0.003","9.381","0.0009","24.923","0.002","90","","114.715","0.003","90","","5905.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N3 O5 -","- C30 H26 Co N2.9995 O4.9995 -","- C240 H208 Co8 N23.996 O39.996 -","8","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1123","0.0603","","","0.1627","0.1935","","","","","","1.033","","","","has coordinates,has disorder","182650","2020-10-21","18:00:00",""
"7224775","5.3407","0.0004","10.8805","0.0009","20.8512","0.0012","93.153","0.006","94.366","0.006","99.411","0.007","1189.07","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N O5 S6 -","- C19 H19 N O5 S6 -","- C38 H38 N2 O10 S12 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1072","0.0792","","","0.1747","0.1959","","","","","","1.047","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224776","9.7149","0.0006","13.5293","0.0006","21.8111","0.0009","78.118","0.004","83.149","0.004","86.593","0.004","2783.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O8 S12 -","- C46 H9 N2 O8 S12 -","- C92 H18 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1531","0.0976","","","0.1636","0.1885","","","","","","1.014","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224777","9.6659","0.0006","13.4126","0.0007","25.3171","0.0017","76.598","0.005","79.897","0.005","86.413","0.005","3142.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O8 S12 -","- C53 H18.92 N2 O8 S12 -","- C106 H37.84 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.126","0.0904","","","0.1706","0.1864","","","","","","1.153","","","","has coordinates,has disorder","182653","2020-10-21","18:00:00",""
"7224779","24.513","0.005","18.922","0.004","17.238","0.003","90","","119.74","0.03","90","","6942","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cu N4 O4 -","- C20 H15 Cu N4 O4 -","- C320 H240 Cu16 N64 O64 -","16","2","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.073","0.0447","","","0.117","0.133","","","","","","0.954","","","","has coordinates","182637","2020-10-21","18:00:00",""
"7224780","7.3598","0.0015","14.818","0.003","26.434","0.005","90","","94.94","0.03","90","","2872.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mo8 N8 O35 -","- C40 H38 Mo8 N8 O35 -","- C80 H76 Mo16 N16 O70 -","2","0.5","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.0623","0.0417","","","0.0957","0.1024","","","","","","0.945","","","","has coordinates,has disorder","182637","2020-10-21","18:00:00",""
"7224786","7.081","0.002","8.559","0.002","9.604","0.003","67","0.02","81.82","0.02","71.19","0.02","507.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1535","0.0905","","","0.2311","0.3014","","","","","","1.089","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224787","7.0242","0.0016","8.496","0.002","9.475","0.002","66.75","0.02","81.96","0.02","71.38","0.02","492.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.141","0.0957","","","0.253","0.31","","","","","","1.119","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224788","7.0048","0.0007","8.453","0.003","9.3834","0.0012","66.49","0.02","81.84","0.009","71.705","0.018","483.6","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1414","0.1608","","","","","","1.155","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224789","6.926","0.003","8.343","0.004","9.223","0.004","66.57","0.05","81.99","0.04","72.07","0.05","465.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.56085","AgKα","","0.2012","0.1112","","","0.282","0.3637","","","","","","1.081","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224790","9.977","0.007","7.1746","0.0003","12.7576","0.0006","90","","93.545","0.013","90","","911.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1064","0.0501","","","0.1296","0.1788","","","","","","1.034","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224791","9.96","0.012","7.1574","0.001","12.579","0.0008","90","","93.71","0.02","90","","894.8","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1198","0.0644","","","0.1532","0.205","","","","","","1.06","","","","has coordinates,has disorder","182633","2020-10-21","18:00:00",""
"7224792","10.11","0.006","7.1","0.0007","6.6984","0.001","114.72","0.012","94.61","0.02","90.202","0.019","435","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0834","0.0631","","","0.1619","0.1812","","","","","","1.122","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224793","10.037","0.002","7.0477","0.001","6.6292","0.001","115.381","0.014","94.711","0.014","90.103","0.014","421.88","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0925","0.0612","","","0.1529","0.1813","","","","","","1.059","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224794","10.007","0.003","7.0202","0.0014","6.5889","0.0012","115.903","0.019","94.821","0.018","90.068","0.019","414.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0896","0.0525","","","0.1324","0.1587","","","","","","1.065","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224795","10.027","0.01","7.0054","0.0013","6.5581","0.0012","116.173","0.019","94.86","0.03","90.02","0.04","411.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1133","0.0757","","","0.196","0.2366","","","","","","1.126","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224796","23.245","0.003","9.9259","0.0012","17.277","0.002","90","","106.81","0.002","90","","3815.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O5 S Zn -","- C18 H14 N4 O5 S Zn -","- C144 H112 N32 O40 S8 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0238","0.0218","","","0.0506","0.0515","","","","","","0.986","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224797","8.7117","0.0012","11.0488","0.0016","13.293","0.0019","69.79","0.004","77.976","0.004","71.66","0.004","1132.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C48 H32 N8 O8 Zn2 -","2","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0595","0.0594","","","0.1421","0.1421","","","","","","0.991","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224798","24.568","0.005","10.146","0.002","17.994","0.003","90","","111.863","0.006","90","","4162.7","1.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N5 O5 Zn -","- C22 H10 N5 O5 Zn -","- C176 H80 N40 O40 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0791","0.0662","","","0.1743","0.1869","","","","","","1.045","","","","has coordinates,has disorder","185279","2020-10-21","18:00:00",""
"7224799","10.6476","0.0013","19.578","0.002","15.1746","0.0017","90","","107.808","0.004","90","","3011.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N12 O20 Zn3 -","- C50 H46 Cl2 N12 O20 Zn3 -","- C100 H92 Cl4 N24 O40 Zn6 -","2","0.5","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0416","0.0374","","","0.0821","0.084","","","","","","1.164","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224800","4.3542","0.0003","7.3675","0.0006","8.714","0.0006","72.481","0.007","83.722","0.006","84.917","0.006","264.52","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C8 H6 Br4 -","1","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0266","0.0217","","","0.0489","0.0511","","","","","","1.067","","","","has coordinates","182660","2020-10-21","18:00:00",""
"7224801","6.6114","0.0005","8.7776","0.0006","9.1807","0.0006","90","","104.041","0.007","90","","516.86","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0478","0.0247","","","0.0404","0.0416","","","","","","0.874","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7224802","11.447","0.004","5.0219","0.0009","15.967","0.003","90","","91.41","0.02","90","","917.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","1.54184","CuKα","","0.0878","0.0581","","","0.1533","0.1751","","","","","","1.04","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224803","5.6677","0.0012","14.228","0.003","10.921","0.002","90","","100.939","0.004","90","","864.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N5 S -","- C7 H7 N5 S -","- C28 H28 N20 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.053","0.0395","","","0.1045","0.1126","","","","","","1.058","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224804","21.6688","0.0014","11.3368","0.0017","8.2128","0.0005","90","","107.851","0.006","90","","1920.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Hg N8 S2 -","- C16 H14 Hg N8 S2 -","- C64 H56 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0973","0.0366","","","0.0804","0.0929","","","","","","1.018","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224805","7.7077","0.0006","16.2385","0.0014","18.9449","0.0014","80.783","0.009","86.817","0.009","86.277","0.008","2333.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Hg N8 O S2 -","- C16 H16 Br2 Hg N8 O S2 -","- C64 H64 Br8 Hg4 N32 O4 S8 -","4","2","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2689","0.0675","","","0.1742","0.2457","","","","","","0.962","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224806","9.726","0.002","10.608","0.002","12.611","0.003","104.613","0.004","109.647","0.004","95.734","0.004","1161.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","1","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0439","0.0291","","","0.0614","0.0665","","","","","","0.978","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224807","13.282","0.002","18.98","0.004","8.27","0.003","90","","90.328","0.008","90","","2084.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Hg N8 S2 -","- C18 H18 Hg N8 S2 -","- C72 H72 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2068","0.0534","","","0.1015","0.1321","","","","","","0.945","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224809","14.646","0.016","10.045","0.011","15.852","0.017","90","","116.057","0.016","90","","2095","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Hg N10 S2 -","- C16 H16 Hg N10 S2 -","- C64 H64 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0529","0.0306","","","0.0597","0.0651","","","","","","1.055","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224842","21.6122","0.0005","16.4917","0.0003","21.8385","0.0005","90","","117.021","0.003","90","","6934","0.3","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.I]n","","- C68 H97 I2 N2 O12.5 -","- C68 H97 I2 N2 O12.5 -","- C272 H388 I8 N8 O50 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0542","0.0412","","0.0902","0.0825","0.0902","","","","","","0.9705","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224843","12.7893","0.0003","16.0254","0.0004","17.4075","0.0004","90","","93.462","0.002","90","","3561.22","0.15","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.H2PO4]n","","- C35 H54 N O11 P -","- C35 H54 N O11 P -","- C140 H216 N4 O44 P4 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0692","0.0489","","0.1219","0.1056","0.1219","","","","","","0.9473","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224844","13.0411","0.0002","16.2078","0.0003","16.6185","0.0002","90","","90.0656","0.0014","90","","3512.61","0.09","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.OAc]n","","- C37 H55 N O9 -","- C37 H55 N O9 -","- C148 H220 N4 O36 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0817","0.0771","","0.2184","0.2146","0.2184","","","","","","0.9951","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224845","20.01455","0.00017","15.41266","0.00017","22.3318","0.00014","90","","90.0507","0.0007","90","","6888.85","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.MeOSO3]n","","- C70 H102 N2 O20 S2 -","- C70 H102 N2 O20 S2 -","- C280 H408 N8 O80 S8 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0491","0.0469","","0.1294","0.1266","0.1294","","","","","","0.968","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224846","11.298","0.0002","15.7065","0.0004","17.8505","0.0004","90","","90.914","0.002","90","","3167.2","0.12","150","","150","","","","","","","","syntheszied","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TEA.Cl]n","","- C30 H42 Cl N O7 -","- C30 H42 Cl N O7 -","- C120 H168 Cl4 N4 O28 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.1109","0.0951","","0.2305","0.2252","0.2305","","","","","","0.9826","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224848","19.5414","0.0011","14.573","0.0006","26.9535","0.0014","90","","113.268","0.007","90","","7051.4","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(μ-I)OMe-dppb]2","4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene","","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C268 H248 Cl24 Cu8 I8 O16 P16 -","4","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0681","0.0429","","","0.09","0.1039","","","","","","1.023","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224849","13.6302","0.0006","13.8186","0.0005","18.0831","0.0007","110.055","0.003","104.744","0.003","97.913","0.003","2997.7","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","P -1","-P 1","2","[Cu(μ-I)Pr-dppb]2","4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine","","- C68 H54 Cu2 I2 N2 P4 -","- C68 H54 Cu2 I2 N2 P4 -","- C136 H108 Cu4 I4 N4 P8 -","2","1","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0598","0.0367","","","0.0655","0.0786","","","","","","1.0742","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224863","10.7414","0.0006","11.2551","0.0006","16.1946","0.0008","84.01","0.003","77.531","0.003","69.651","0.003","1791.45","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N4 O6 -","- C46 H38 N4 O6 -","- C92 H76 N8 O12 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0686","0.0523","","","0.1322","0.1431","","","","","","1.019","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224864","13.8522","0.0015","15.6089","0.0016","15.8464","0.0015","65.532","0.003","83.496","0.003","89.872","0.003","3094.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N4 O4 -","- C92 H60 N4 O4 -","- C184 H120 N8 O8 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0874","0.0604","","","0.1476","0.1637","","","","","","1.017","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224865","13.5292","0.0005","20.5192","0.0006","11.5369","0.0004","90","","107.657","0.001","90","","3051.86","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N3 O2 -","- C43 H30 N3 O2 -","- C172 H120 N12 O8 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0548","0.0429","","","0.1073","0.1148","","","","","","1.044","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224866","11.44","0.0007","20.592","0.0012","14.745","0.0009","90","","110.377","0.003","90","","3256.1","0.3","110","2","110","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C94 H64 N6 O4 -","- C94 H64 N6 O4 -","- C188 H128 N12 O8 -","2","0.25","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0657","0.0481","","","0.1204","0.1333","","","","","","1.032","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224867","16.1034","0.0006","23.3602","0.0009","15.3638","0.0005","90","","113.178","0.002","90","","5313","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.7 H54.8 N6 O6.7 -","- C65 H48 N6 O5 -","- C260 H192 N24 O20 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0947","0.0613","","","0.1582","0.1785","","","","","","1.015","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224868","32.937","0.004","6.2835","0.0005","29.547","0.003","90","","119.674","0.004","90","","5313.1","1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H62 N6 O9.5 -","- C56 H40 N6 O4 -","- C224 H160 N24 O16 -","4","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.1047","0.0645","","","0.1667","0.1813","","","","","","0.965","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224869","6.0722","0.0005","15.4167","0.0016","16.9383","0.0018","88.096","0.004","86.696","0.004","85.177","0.004","1576.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","1","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0564","0.043","","","0.1042","0.1126","","","","","","1.028","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224870","11.5191","0.0006","8.0183","0.0005","12.9595","0.0008","90","","100.259","0.003","90","","1177.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Ce O7 -","- C9 H11 Ce O7 -","- C36 H44 Ce4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0453","0.0465","","","","1.3","1.3","1.24","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224871","11.5115","0.0003","7.9773","0.0002","13.0081","0.0003","90","","100.209","0.001","90","","1175.63","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Pr -","- C9 H11 O7 Pr -","- C36 H44 O28 Pr4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0728","0.0438","","","0.0514","0.0529","","","","2.37","2.37","2.02","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224872","11.4812","0.0002","7.9164","0.0001","12.9995","0.0003","90","","100.355","0.002","90","","1162.28","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O7 -","- C9 H11 Nd O7 -","- C36 H44 Nd4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0826","0.0541","","","0.0621","0.0679","","","","1.19","1.19","1.1","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224873","11.4339","0.0001","7.8472","0.0001","13.0074","0.0002","90","","100.188","0.0006","90","","1148.67","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Sm -","- C9 H11 O7 Sm -","- C36 H44 O28 Sm4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0309","0.0198","","","0.024","0.0315","","","","1.29","1.29","1.52","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224874","11.4283","0.0006","7.8226","0.0004","13.0064","0.0006","90","","100.148","0.002","90","","1144.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Eu O7 -","- C9 H11 Eu O7 -","- C36 H44 Eu4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.0431","0.0448","","","","2.41","2.41","2.08","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224875","11.3797","0.0006","7.7495","0.0004","12.9729","0.0006","90","","99.988","0.002","90","","1126.7","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Tb -","- C9 H11 O7 Tb -","- C36 H44 O28 Tb4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0297","0.0208","","","0.0249","0.0259","","","","1.4","1.4","1.3","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224876","11.407","0.003","7.7149","0.0016","12.942","0.003","90","","99.966","0.01","90","","1121.8","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Dy O7 -","- C9 H11 Dy O7 -","- C36 H44 Dy4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0434","0.0305","","","0.0347","0.0364","","","","1.15","1.15","1.09","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224895","7.4418","0.0005","10.0193","0.0009","12.2838","0.001","90.054","0.005","99.653","0.005","104","0.004","875.29","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O7 U -","- C16 H18 N2 O7 U -","- C32 H36 N4 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0277","0.0217","","","0.0414","0.0424","","","","","","1.02","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224897","6.8419","0.0003","14.9035","0.001","18.3664","0.0012","90","","97.677","0.004","90","","1856","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 U -","- C18 H20 N2 O6 U -","- C72 H80 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0377","0.0294","","","0.0709","0.0731","","","","","","1.128","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224898","8.9926","0.0005","10.1782","0.0006","12.334","0.0008","74.294","0.003","69.809","0.004","75.184","0.004","1003.39","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C42 H44 N4 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0309","0.0243","","","0.0549","0.0563","","","","","","1.001","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224899","9.2082","0.0006","13.2399","0.0012","18.1132","0.0014","73.667","0.004","78.133","0.004","83.081","0.005","2069.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C84 H88 N8 O24 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0672","0.0418","","","0.0914","0.0982","","","","","","1.044","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224900","9.1158","0.0004","19.5111","0.0011","19.6788","0.0008","103.432","0.004","92.911","0.003","94.315","0.004","3386.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O11 U2 -","- C33 H30 N4 O11 U2 -","- C132 H120 N16 O44 U8 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0705","0.0383","","","0.0583","0.0644","","","","","","0.936","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224901","7.7422","0.0004","16.7494","0.0007","18.1092","0.0008","90","","97.207","0.003","90","","2329.8","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O6 U -","- C23 H30 N2 O6 U -","- C92 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0429","0.0344","","","0.0914","0.0955","","","","","","1.038","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224902","8.0731","0.0004","17.3445","0.0006","17.4005","0.0007","90","","92.994","0.003","90","","2433.16","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O6 U -","- C25 H30 N2 O6 U -","- C100 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0767","0.0628","","","0.1733","0.1822","","","","","","1.059","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224905","11.998","0.007","26.923","0.016","19.114","0.009","90","","116.81","0.03","90","","5511","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I12 N24 Ni8 O6 -","- C36 H30 I12 N24 Ni8 O6 -","- C72 H60 I24 N48 Ni16 O12 -","2","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71","MoKα","","0.1724","0.0997","","","0.2155","0.2408","","","","","","0.71","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224907","12.6658","0.0006","15.8879","0.0007","22.143","0.001","89.449","0.004","93.013","0.004","107.919","0.004","4233.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H77 Cl3 N34 O35 -","- C57 H77 Cl3 N34 O34.869 -","- C114 H154 Cl6 N68 O69.738 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1208","0.1052","","","0.2891","0.3125","","","","","","1.192","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224908","12.528","0.0014","15.3546","0.0012","17.2965","0.0016","107.352","0.008","100.18","0.009","95.791","0.008","3083.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 Cl3 Mg N27 O27 -","- C43 H70 Cl3 Mg N27 O27 -","- C86 H140 Cl6 Mg2 N54 O54 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1056","0.0805","","","0.2113","0.2382","","","","","","0.92","","","","has coordinates","185200","2020-10-21","18:00:00",""
"7224909","15.8539","0.0003","19.7194","0.0003","26.8892","0.0005","98.389","0.002","94.251","0.002","109.497","0.002","7771.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Ca2 Cl5.5 N54 O77 -","- C86 H92 Ca2 Cl5.5 N54 O76.99 -","- C172 H184 Ca4 Cl11 N108 O153.98 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1141","0.1021","","","0.2879","0.301","","","","","","1.12","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224910","15.6491","0.001","20.9747","0.0018","35.1781","0.001","100.397","0.005","99.817","0.004","103.379","0.006","10773.6","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H140 Cl2 N76 O80 -","- C128 H140 Cl2 N76 O80.069 -","- C256 H280 Cl4 N152 O160.138 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.2609","0.1567","","","0.3754","0.4392","","","","","","1.114","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224922","23.22","0.001","24.47","0.02","32.46","0.001","90","","90","","90","","18444","15","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C89.9 H138.6 F6.6 N2 O9.2 -","- C89.9 H138.6 F6.6 N2 O9.2 -","- C719.2 H1108.8 F52.8 N16 O73.6 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.7","","","0.1831","0.1298","","","0.3666","0.4113","","","","","","1.437","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224924","12.5712","0.0012","10.2622","0.0009","18.6905","0.0018","90","","101.379","0.003","90","","2363.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetrabromocadmate(II) monohydrate","bis(quinolinium) tetrabromocadmate(II) monohydrate","","- C18 H20 Br4 Cd N2 O2 -","- C18 H20 Br4 Cd N2 O2 -","- C72 H80 Br16 Cd4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0692","0.0374","","","0.072","0.0806","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224925","16.448","0.002","13.1972","0.0014","12.5022","0.0014","90","","106.338","0.004","90","","2604.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrachloromercurate(ii) dihydrate","bis(phenazinium) tetrachloromercury(ii) dihydrate","","- C24 H22 Cl4 Hg N4 O2 -","- C24 H22 Cl4 Hg N4 O2 -","- C96 H88 Cl16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.099","0.0447","","","0.0586","0.0685","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224926","13.155","0.013","10.375","0.011","18.777","0.017","90","","93.87","0.03","90","","2557","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachloro-zinc(II)","bis(acridinium) tetrachloro-zinc(II)","","- C26 H20 Cl4 N2 Zn -","- C26 H20 Cl4 N2 Zn -","- C104 H80 Cl16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.2053","0.1423","","","0.2463","0.2719","","","","","","1.185","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224927","10.788","0.002","20.604","0.005","15.212","0.003","90","","96.743","0.003","90","","3357.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) diaqua-dibromo-zinc(II)","tris(acridine) diaqua-dibromo-zinc(II)","","- C39 H31 Br2 N3 O2 Zn -","- C39 H31 Br2 N3 O2 Zn -","- C156 H124 Br8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0564","0.0391","","","0.0954","0.0996","","","","","","0.993","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224928","13.1044","0.0013","10.2306","0.0009","19.0699","0.0019","90","","92.513","0.003","90","","2554.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrabromo-zinc (II)","bis(acridinium) tetrabromo-zinc (II)","","- C26 H20 Br4 N2 Zn -","- C26 H20 Br4 N2 Zn -","- C104 H80 Br16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0986","0.0885","","","0.2868","0.2974","","","","","","1.218","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224929","16.5361","0.0014","13.2372","0.0011","12.7563","0.0011","90","","106.25","0.003","90","","2680.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromomercurate(II) dihydrate","bis(phenazinium) tetrabromomercurate(II) dihydrate","","- C24 H22 Br4 Hg N4 O2 -","- C24 H22 Br4 Hg N4 O2 -","- C96 H88 Br16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1426","0.1115","","","0.18","0.1901","","","","","","1.175","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224930","6.9401","0.0001","16.5048","0.0003","20.9602","0.0004","90","","91.82","0.03","90","","2399.67","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","","- C24 H22 Cl2 N4 O3 Zn -","- C24 H22 Cl2 N4 O3 Zn -","- C96 H88 Cl8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1208","0.1013","","","0.3008","0.3213","","","","","","1.141","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224931","16.2283","0.0014","12.5193","0.0011","17.939","0.002","90","","115.769","0.002","90","","3282.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","phenazindiium phenazine tetrachloro-zinc(II)","phenazindiium phenazine tetrachloro-zinc(II)","","- C36 H28 Cl4 N6 Zn -","- C36 H28 Cl4 N6 Zn -","- C144 H112 Cl16 N24 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0689","0.0567","","","0.1321","0.1394","","","","","","1.115","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224932","9.6262","0.0004","10.2001","0.0005","14.7243","0.0007","97.375","0.001","93.472","0.001","113.214","0.001","1307.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(acridinium) tetrabromocadmate(II)","bis(acridinium) tetrabromocadmate(II)","","- C26 H20 Br4 Cd N2 -","- C26 H20 Br4 Cd N2 -","- C52 H40 Br8 Cd2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0435","0.0293","","","0.0617","0.0667","","","","","","1.031","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224933","12.8432","0.0016","10.2106","0.0012","18.821","0.002","90","","92.326","0.005","90","","2466.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachlorocadmate (II)","bis(acridinium) tetrachlorocadmate (II)","","- C26 H20 Cd Cl4 N2 -","- C26 H20 Cd Cl4 N2 -","- C104 H80 Cd4 Cl16 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0781","0.0765","","","0.2109","0.2121","","","","","","1.212","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224934","12.0377","0.0009","9.9002","0.0007","18.3254","0.0013","90","","100.72","0.002","90","","2145.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetracholoromercurate(II) monohydrate","bis(quinolinium) tetracholoromercurate(II) monohydrate","","- C18 H20 Cl4 Hg N2 O2 -","- C18 H20 Cl4 Hg N2 O2 -","- C72 H80 Cl16 Hg4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0127","0.0119","","","0.0292","0.0295","","","","","","1.094","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224935","11.4956","0.0003","21.8349","0.0007","15.5772","0.0005","90","","93.772","0.001","90","","3901.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","","- C42 H37 I2 N3 O2 Zn -","- C42 H37 I2 N3 O2 Zn -","- C168 H148 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0548","0.0364","","","0.0847","0.0951","","","","","","1.023","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224936","7.7519","0.0003","10.0771","0.0004","18.7817","0.0007","93.974","0.001","99.551","0.001","104.544","0.001","1390.97","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","","- C26 H27 Br3 N4 O3 Zn -","- C26 H27 Br3 N4 O3 Zn -","- C52 H54 Br6 N8 O6 Zn2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0258","0.0237","","","0.0624","0.0634","","","","","","1.05","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224937","16.693","0.0015","13.4439","0.0012","12.7863","0.0011","90","","106.754","0.002","90","","2747.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromocadmate(II) dihydrate","bis(phenazinium) tetrabromocadmate(II) dihydrate","","- C24 H21 Br4 Cd N4 O2 -","- C24 H21 Br4 Cd N4 O2 -","- C96 H84 Br16 Cd4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1288","0.0755","","","0.1331","0.1569","","","","","","1.126","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224938","11.2134","0.0005","21.5564","0.0011","15.1841","0.0008","90","","92.675","0.002","90","","3666.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","","- C41 H35 I2 N3 O2 Zn -","- C41 H35 I2 N3 O2 Zn -","- C164 H140 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0231","0.0211","","","0.0591","0.0617","","","","","","0.824","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224939","6.917","0.0007","16.4068","0.0015","21.562","0.002","90","","92.213","0.002","90","","2445.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","","- C24 H22 Br2 N4 O3 Zn -","- C24 H22 Br2 N4 O3 Zn -","- C96 H88 Br8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0551","0.0473","","","0.1189","0.1246","","","","","","1.065","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","185247","2020-10-21","18:00:00",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224951","13.5184","0.0009","13.4639","0.0008","21.0031","0.0013","90","","106.412","0.007","90","","3667","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","","0.71073","MoKα","","0.1398","0.0682","","","0.1653","0.1915","","","","","","0.8832","","","","has coordinates,has disorder","185237","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7224953","7.339","0.002","19.964","0.006","10.771","0.003","90","","104.306","0.005","90","","1529.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0664","0.0578","","","0.1331","0.14","","","","","","1.001","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224961","6.2362","0.0002","16.4475","0.0006","11.5774","0.0005","90","","93.457","0.004","90","","1185.33","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl yellow","'N,N-dimethyl-4-aminoazobenzene '","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.","Polymorphism of the azobenzene dye compound methyl yellow","CrystEngComm","2016","18","19","3456","","10.1039/C6CE00387G","","","0.71073","MoKα","","0.0892","0.0519","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","185291","2020-10-21","18:00:00",""
"7224962","15.114","0.001","19.254","0.001","12.036","0.001","103.109","0.008","104.063","0.008","102.422","0.007","3170.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 Cl6 O8 -","- C70 H70 Cl6 O8 -","- C140 H140 Cl12 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","1.54178","CuKα","","0.1585","0.1087","","","0.3134","0.3501","","","","","","1.119","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224963","10.574","0.001","15.785","0.001","17.417","0.002","88.866","0.002","89.179","0.002","75.592","0.002","2815","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 Cl4 O8 -","- C64 H60 Cl4 O8 -","- C128 H120 Cl8 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","0.71069","MoKα","","0.1553","0.0998","","","0.297","0.341","","","","","","1.106","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224964","24.013","0.001","4.8573","0.0002","18.3684","0.0007","90","","110.975","0.004","90","","2000.49","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 N4 O4 -","- C18 H16 Br2 N4 O4 -","- C72 H64 Br8 N16 O16 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0968","0.0328","","","0.0482","0.0522","","","","","","0.705","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224965","15.734","0.0006","7.37","0.0003","12.207","0.0004","90","","107.213","0.004","90","","1352.12","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C56 H48 Br4 N12 O8 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0595","0.031","","","0.0535","0.0565","","","","","","0.833","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224966","12.7147","0.0016","6.2855","0.0009","27.243","0.003","90","","100.679","0.009","90","","2139.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N6 O3 S -","- C20 H26 N6 O3 S -","- C80 H104 N24 O12 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.132","0.0509","","","0.0875","0.0994","","","","","","0.817","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224967","8.5882","0.0006","9.0566","0.0007","13.2569","0.0009","93.909","0.004","107.379","0.004","107.982","0.004","921.26","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.059","0.0398","","","0.0739","0.0802","","","","","","1.036","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224968","7.8556","0.0004","10.5492","0.0005","11.5009","0.0006","91.605","0.003","102.511","0.003","110.839","0.002","863.8","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O3 S3 -","- C13 H16 N4 O3 S3 -","- C26 H32 N8 O6 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0393","0.0339","","","0.0719","0.0739","","","","","","1.037","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224969","35.437","0.002","5.1812","0.0003","19.7021","0.001","90","","94.827","0.005","90","","3604.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.6 H31.6 N10 O6 S4 Zn -","- C27.6 H31.6 N10 O6 S4 Zn -","- C110.4 H126.4 N40 O24 S16 Zn4 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0844","0.0571","","","0.0983","0.11","","","","","","1.034","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224970","10.6976","0.0008","12.5934","0.0009","14.4096","0.0009","87.49","0.005","85.965","0.005","83.479","0.005","1922.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C66 H60 N24 O12 S12 -","6","3","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1077","0.0577","","","0.1392","0.1705","","","","","","1.003","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224971","9.2653","0.0007","10.2683","0.0007","11.4407","0.0008","66.57","0.004","80.387","0.005","65.245","0.005","906.93","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N4 O4 S2 -","- C13 H15 Br N4 O4 S2 -","- C26 H30 Br2 N8 O8 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1286","0.0516","","","0.0816","0.1075","","","","","","1.004","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224972","24.018","0.0018","4.9616","0.0002","23.5481","0.0018","90","","112.834","0.009","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C88 H80 N32 O16 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0572","0.0415","","","0.1201","0.1398","","","","","","0.999","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224973","8.6923","0.0002","9.6622","0.0002","11.9422","0.0003","106.389","0.001","91.668","0.001","107.403","0.001","911.1","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0444","0.0384","","","0.118","0.1269","","","","","","1.005","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224974","6.557","0.002","8.595","0.002","12.225","0.003","92.35","0.02","91.9","0.02","98.16","0.02","680.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O4 S -","- C11 H12 N4 O4 S -","- C22 H24 N8 O8 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.2901","0.1164","","","0.2735","0.3261","","","","","","1.097","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224975","8.4079","0.0008","10.8878","0.0011","13.9669","0.0014","86.117","0.006","85.722","0.006","68.541","0.005","1185.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N7 O5 S -","- C23 H25 N7 O5 S -","- C46 H50 N14 O10 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1518","0.0552","","","0.0654","0.0818","","","","","","1.001","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224985","10.1327","0.0005","13.1142","0.0006","16.2637","0.0007","80.616","0.004","84.703","0.004","68.575","0.005","1983.63","0.17","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N O P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.","Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy","CrystEngComm","2016","18","38","7260","","10.1039/C6CE00735J","","","0.71073","MoKα","","0.0497","0.038","","","0.079","0.085","","","","","","1.037","","","","has coordinates,has disorder","187031","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224989","11.8253","0.0014","6.2971","0.0005","15.069","0.002","90","","100.9","0.005","90","","1101.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C56 H36 N12 -","2","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1892","0.0691","","","0.1811","0.2376","","","","","","0.949","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224990","7.2379","0.001","8.6275","0.0012","12.664","0.002","102.003","0.008","100.361","0.008","91.428","0.009","759.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","neutral complex TMTTF_1","TMTTF_1","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0813","0.061","","","0.1361","0.1464","","","","","","1.024","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224991","9.9664","0.0007","9.6751","0.0006","16.8053","0.0013","90","","99.922","0.005","90","","1596.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 S3 -","- C14 H13 N5 S3 -","- C56 H52 N20 S12 -","4","1","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0527","0.0423","","","0.099","0.106","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224992","7.2959","0.0011","8.7231","0.0012","12.7388","0.0018","102.719","0.008","101.011","0.007","91.481","0.007","774.3","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0685","0.0417","","","0.1016","0.114","","","","","","1.065","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224993","5.3638","0.0002","7.2562","0.0003","12.7329","0.0005","77.773","0.002","80.204","0.001","69.11","0.001","450.06","0.03","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0292","0.0261","","","0.0711","0.0747","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224994","8.6586","0.0005","20.4937","0.0012","10.9221","0.0006","90","","109.724","0.002","90","","1824.38","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe N6 S4 -","- C36 H40 Fe N6 S4 -","- C72 H80 Fe2 N12 S8 -","2","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.1067","0.0937","","","0.2136","0.2203","","","","","","1.279","","","","has coordinates,has disorder","287935","2023-12-01","15:08:13",""
"7224995","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224996","10.0326","0.0003","10.6238","0.0003","11.6287","0.0004","94.489","0.001","99.49","0.002","117.263","0.001","1069.83","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrene-1,3-diylbis(phenylmethanone)","1,3 Dibenzoylpyrene","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0503","0.0408","","","0.1147","0.1292","","","","","","1.067","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224997","5.4689","0.0003","8.251","0.0005","22.572","0.0015","90","","95.604","0.002","90","","1013.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6 Dibenzoylpyrene","pyrene-1,6-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0427","0.0337","","","0.087","0.0955","","","","","","1.039","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224998","25.1722","0.0005","8.4269","0.0002","19.6579","0.0005","90","","99.886","0.001","90","","4107.99","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8 Dibenzoylpyrene","pyrene-1,8-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0711","0.0482","","","0.1237","0.16","","","","","","1.155","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224999","8.9515","0.0004","11.9373","0.0005","14.2375","0.0006","104.703","0.002","102.28","0.002","109.581","0.002","1310.36","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tribenzoylpyrene","pyrene-1,3,6-triyltris(phenylmethanone)","","- C37 H22 O3 -","- C37 H22 O3 -","- C74 H44 O6 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0855","0.0421","","","0.114","0.161","","","","","","1.082","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225000","5.6503","0.0016","20.897","0.005","12.787","0.003","90","","101.506","0.012","90","","1479.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrabenzoylpyrene","pyrene-1,3,6,8-tetrayltetrakis(phenylmethanone)","","- C44 H26 O4 -","- C44 H26 O4 -","- C88 H52 O8 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0623","0.0403","","","0.1084","0.1253","","","","","","1.003","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225001","21.563","0.005","14.172","0.005","13.642","0.005","90","","106.815","0.005","90","","3991","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.2 H39.8 Cd N10.4 O8.4 -","- C22 H16 Cd N7 O5 -","- C88 H64 Cd4 N28 O20 -","4","1","","Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework","CrystEngComm","2016","18","25","4765","","10.1039/C6CE00745G","","","0.71069","MoKα","","0.0545","0.0373","","","0.0904","0.0935","","","","","","1.04","","","","has coordinates","185210","2020-10-21","18:00:00",""
"7225002","8.522","0.0002","15.459","0.0001","15.7009","0.0002","90","","122.166","0.001","90","","1750.97","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N6 O S2 Zn -","- C15 H12 N6 O S2 Zn -","- C60 H48 N24 O4 S8 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","1.5418","CuKα","","0.0357","0.0282","","","0.0662","0.0697","","","","","","1.06","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225003","27.2384","0.001","12.3781","0.0002","23.7446","0.0009","90","","133.803","0.007","90","","5777.9","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N10 O9 Zn -","- C26 H25.192 N10 O8.596 Zn -","- C208 H201.536 N80 O68.768 Zn8 -","8","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0303","0.0274","","","0.0626","0.0637","","","","","","1.028","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225005","7.5604","0.0003","8.0042","0.0003","15.2219","0.0006","93.114","0.002","103.265","0.002","115.536","0.002","796.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 I2 N4 O Zn -","- C13 H12 I2 N4 O Zn -","- C26 H24 I4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.038","0.0276","","","0.0613","0.0649","","","","","","1.033","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225006","7.5331","0.0009","7.832","0.001","14.7352","0.0018","93.269","0.001","103.01","0.001","116.005","0.001","749.16","0.16","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Zn -","- C13 H12 Br2 N4 O Zn -","- C26 H24 Br4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0283","0.0217","","","0.0488","0.0508","","","","","","1.044","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225007","8.874","0.003","15.738","0.005","15.117","0.007","90","","95.4","0.02","90","","2101.9","1.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd I2 N4 O3 -","- C15 H20 Cd I2 N4 O3 -","- C60 H80 Cd4 I8 N16 O12 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.021","0.0203","","","0.0507","0.051","","","","","","1.161","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225008","7.8599","0.0001","14.8149","0.0002","15.7341","0.0002","90","","93.383","0.001","90","","1828.94","0.04","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Cd N4 O2 -","- C14 H16 Br2 Cd N4 O2 -","- C56 H64 Br8 Cd4 N16 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.028","0.0218","","","0.041","0.0427","","","","","","1.06","","","","has coordinates,has disorder","185225","2020-10-21","18:00:00",""
"7225009","26.559","0.0016","27.6534","0.0016","21.9738","0.0012","90","","120.836","0.001","90","","13857.2","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H52 N51 O89 Si2 W24 Zn12.5 -","- C34 H35 N51 O89 Si2 W24 Zn12.5 -","- C136 H140 N204 O356 Si8 W96 Zn50 -","4","0.5","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71073","MoKα","","0.0874","0.0547","","","0.1268","0.1462","","","","","","1.013","","","","has coordinates,has disorder","186358","2020-10-21","18:00:00",""
"7225010","18.517","0.0008","15.842","0.0011","26.966","0.005","90","0.001","92.78","0.001","90","0.001","7901.1","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N10 O54 Pb2 Si W12 -","- C50 H40 N10 O54 Pb2 Si W12 -","- C200 H160 N40 O216 Pb8 Si4 W48 -","4","1","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71069","MoKα","","0.0508","0.032","","","0.0549","0.0599","","","","","","1.011","","","","has coordinates","186358","2020-10-21","18:00:00",""
"7225038","13.883","0.003","5.6927","0.0011","13.226","0.003","90","","90.43","0.03","90","","1045.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-tellura-1,3-dithiaferrocenophane","","- C10 H8 Fe S2 Te -","- C10 H8 Fe S2 Te -","- C40 H32 Fe4 S8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0793","","","","","","1.041","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225040","14.174","0.003","5.798","0.0012","13.574","0.003","90","","90.19","0.03","90","","1115.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-diselena-2-telluraferrocenophane","","- C10 H8 Fe Se2 Te -","- C10 H8 Fe Se2 Te -","- C40 H32 Fe4 Se8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0721","0.0483","","","0.1023","0.1166","","","","","","1.095","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225043","9.4953","0.0004","7.4545","0.0004","23.2683","0.001","90","","92.551","0.004","90","","1645.36","0.13","190","","190","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hemitriiodide","","- C15 H17.5 I1.5 N O2 -","- C15 H17.5 I1.5 N O2 -","- C60 H70 I6 N4 O8 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","1.5418","CuKα","","0.048","0.045","","0.1345","0.1296","0.1345","","","","","","0.9861","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225044","13.5939","0.0011","7.2782","0.0005","19.7522","0.0016","90","","109.567","0.009","90","","1841.4","0.3","301","","301","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hydriodide trihydrate","","- C15 H24 I N O5 -","- C15 H24 I N O5 -","- C60 H96 I4 N4 O20 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","0.71073","MoKα","","0.0793","0.0565","","0.1356","0.1201","0.1356","","","","","","0.9748","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225045","13.1828","0.0004","14.6064","0.0005","18.7024","0.0012","89.99","0.004","75.962","0.004","73.901","0.003","3347.9","0.3","100.01","0.1","100.01","","","","","","","","","5","P -1","-P 1","2","agomelatine iodine ‒ triiodide","agomelatine hemitriiodide iodine","","- C60 H68 I8 N4 O8 -","- C60 H70 I8 N4 O8 -","- C120 H140 I16 N8 O16 -","2","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","x-ray","0.71073","MoKα","","0.0229","0.0181","","","0.0443","0.0467","","","","1.17","1.17","1.15","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225046","13.6238","0.001","14.4019","0.001","16.3902","0.0012","78.797","0.001","77.346","0.001","65.537","0.001","2836.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0589","0.0478","","","0.1271","0.1378","","","","","","0.951","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225047","13.6332","0.0018","14.3983","0.0019","16.347","0.002","78.969","0.003","77.335","0.003","65.518","0.002","2831","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1106","0.0699","","","0.1269","0.1495","","","","","","0.967","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225048","13.659","0.003","14.392","0.003","16.317","0.003","78.947","0.003","77.37","0.004","65.555","0.004","2830.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1129","0.0898","","","0.1854","0.2028","","","","","","1.083","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225049","13.616","0.003","14.396","0.003","16.304","0.003","78.978","0.004","77.352","0.004","65.513","0.003","2819.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1096","0.0599","","","0.0935","0.112","","","","","","0.937","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225050","13.6431","0.0017","14.3607","0.0019","16.245","0.002","79.042","0.002","77.557","0.002","65.639","0.002","2812.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0535","0.0416","","","0.0935","0.1013","","","","","","1.027","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225051","13.6739","0.0008","14.3581","0.0008","16.2252","0.0009","79.064","0.001","77.579","0.001","65.711","0.001","2817.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0524","0.0417","","","0.105","0.1155","","","","","","1.037","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225052","13.6709","0.0018","14.3413","0.0018","16.202","0.002","79.129","0.002","77.703","0.002","65.706","0.002","2810.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0706","0.0506","","","0.11","0.1213","","","","","","1.003","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225053","13.6968","0.0015","14.3565","0.0017","16.2082","0.0017","79.075","0.002","77.696","0.002","65.666","0.002","2818.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0704","0.0492","","","0.1063","0.1222","","","","","","1.051","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225054","13.6997","0.0017","14.3367","0.0018","16.203","0.002","79.004","0.002","77.826","0.002","65.631","0.002","2814.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0539","0.0412","","","0.0893","0.0948","","","","","","0.98","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225055","8.3992","0.0007","9.6188","0.0008","17.1946","0.0014","80.489","0.001","81.363","0.001","80.311","0.001","1339.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.032","0.0291","","","0.0684","0.0698","","","","","","1.059","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225056","7.8172","0.0008","10.1764","0.001","16.325","0.0017","82.035","0.001","86.015","0.001","69.337","0.001","1203.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0355","0.0348","","","0.0936","0.0943","","","","","","1.089","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225058","8.959","0.0006","11.0509","0.0007","14.1615","0.0009","81.507","0.001","76.996","0.001","67.683","0.001","1260.76","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0249","0.0231","","","0.0508","0.0521","","","","","","1.036","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225059","8.6593","0.0009","11.3825","0.0012","14.6811","0.0015","69.244","0.002","73.365","0.002","82.764","0.002","1296","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0275","0.0241","","","0.053","0.0544","","","","","","1.048","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225060","8.6566","0.0011","11.3992","0.0015","14.6846","0.0018","69.373","0.002","73.559","0.002","82.771","0.002","1300.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0318","0.0285","","","0.0575","0.0592","","","","","","1.087","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225061","8.5902","0.0005","11.3902","0.0007","14.602","0.0009","69.573","0.001","73.741","0.001","82.79","0.001","1284.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0267","0.0239","","","0.0505","0.0518","","","","","","1.029","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225062","19.5429","0.0008","4.7197","0.0001","17.2626","0.0007","90","","114.668","0.005","90","","1446.94","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","0.5","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0353","0.0335","","","0.0686","0.0692","","","","","","1.306","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225063","9.8401","0.0004","12.0388","0.0005","15.2173","0.0005","95.386","0.003","106.844","0.003","112.289","0.004","1553.6","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O6 P2 -","- C13 H18 N2 O6 P2 -","- C52 H72 N8 O24 P8 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0593","0.0406","","","0.0851","0.092","","","","","","1.042","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225064","9.1052","0.0002","9.5324","0.0003","20.3596","0.0006","79.976","0.002","86.857","0.002","69.836","0.002","1633.45","0.08","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 N2 O12 P4 -","- C26 H48 N2 O12 P4 -","- C52 H96 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0883","0.0912","","","","","","1.046","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225066","9.1687","0.0004","9.605","0.0004","17.9827","0.0007","79.13","0.003","89.668","0.003","70.32","0.003","1461.54","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0424","0.034","","","0.0875","0.093","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225067","23.4234","0.0007","4.64205","0.00013","16.9643","0.0005","90","","104.72","0.003","90","","1784.03","0.09","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O6 P2 -","- C15 H28 N O6 P2 -","- C60 H112 N4 O24 P8 -","4","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0694","0.0435","","","0.0888","0.0974","","","","","","1.019","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225068","4.7551","0.0001","8.7442","0.0003","22.6864","0.0008","81.639","0.003","87.13","0.003","88.196","0.003","931.81","0.05","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N O6 P2 -","- C16 H30 N O6 P2 -","- C32 H60 N2 O12 P4 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0909","0.0967","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225069","9.1869","0.0018","9.2725","0.0019","24.348","0.005","83.68","0.03","81.01","0.03","81.4","0.03","2017.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 N2 O12 P4 -","- C34 H64 N2 O12 P4 -","- C68 H128 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0892","0.0717","","","0.1843","0.1933","","","","","","1.115","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225072","10.0056","0.0005","10.264","0.0005","22.7508","0.001","84.883","0.004","81.606","0.004","63.403","0.005","2066.07","0.19","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cd2 N4 O8 -","- C42 H48 Cd2 N4 O8 -","- C84 H96 Cd4 N8 O16 -","2","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","1.54178","CuKα","","0.0642","0.045","","","0.1058","0.1179","","","","","","1.014","","","","has coordinates,has disorder","185223","2020-10-21","18:00:00",""
"7225079","9.2607","0.0002","12.0677","0.0003","31.0183","0.0007","90","","97.604","0.003","90","","3435.98","0.14","285.9","0.6","285.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co3 N4 O10 -","- C24 H18 Co3 N4 O10 -","- C96 H72 Co12 N16 O40 -","4","1","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","A CoII-based metal‒organic framework based on [Co6(μ3-OH)4] units exhibiting selective sorption of C2H2over CO2and CH4","CrystEngComm","2016","18","21","3760","","10.1039/C6CE00709K","","x-ray","0.71","MoKα","","0.0836","0.0582","","","0.1905","0.2157","","","","","","1.094","","","","has coordinates,has disorder","185244","2020-10-21","18:00:00",""
"7225080","9.9523","0.0007","9.9523","0.0007","36.798","0.003","90","","90","","90","","3644.8","0.5","293","2","293","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","NNU-32","","","- C34 H14 In O8 -","- C34 H14 In O8 -","- C68 H28 In2 O16 -","2","0.125","","Li, Xingyu; Chen, Dashu; Liu, Yue; Yu, Ziyang; Xia, Qiansu; Xing, Hongzhu; Sun, Wendong","Anthracene-based indium metal‒organic framework as a promising photosensitizer for visible-light-induced atom transfer radical polymerization","CrystEngComm","2016","18","20","3696","","10.1039/C6CE00465B","","","0.71073","MoKα","","0.0756","0.0413","","","0.1038","0.1151","","","","","","0.963","","","","has coordinates","185236","2020-10-21","18:00:00",""
"7225090","8.888","0.004","16.396","0.008","14.795","0.007","90","","90","","90","","2156","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Ag2 N6 O6 -","- C18 H16 Ag2 N6 O6 -","- C72 H64 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.042","0.0349","","","0.1039","0.1084","","","","","","1.085","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225091","13.3465","0.0017","7.1935","0.0009","19.632","0.003","90","","102.694","0.001","90","","1838.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Ag2 N6 O6 -","- C19 H12 Ag2 N6 O6 -","- C76 H48 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0481","0.0322","","","0.0713","0.0813","","","","","","1.007","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225092","18.11","0.013","14.899","0.011","10.013","0.007","90","","104.397","0.008","90","","2617","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Ag6 N8 O8 -","- C22 H10 Ag6 N8 O8 -","- C88 H40 Ag24 N32 O32 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0733","0.0635","","","0.1672","0.1751","","","","","","0.998","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225093","13.3233","0.0005","7.3226","0.0002","8.0133","0.0003","90","","97.8638","0.0009","90","","774.44","0.05","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br K N2 O3 -","- C4 H4 Br K N2 O3 -","- C16 H16 Br4 K4 N8 O12 -","4","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0115","2.09046","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225094","14.1395","0.0006","7.374","0.0003","13.9831","0.0006","90","","102.141","0.002","90","","1425.33","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br N2 Na O3 -","- C4 H4 Br N2 Na O3 -","- C32 H32 Br8 N16 Na8 O24 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0649","8.84972","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225096","13.1709","0.0004","13.5041","0.0005","14.1929","0.0005","85.631","0.003","89.267","0.002","63.403","0.003","2250.03","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0431","0.0364","","","0.1021","0.1079","","","","","","1.079","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225097","13.2476","0.0004","13.6218","0.0004","14.1692","0.0005","85.747","0.002","88.605","0.003","63.083","0.003","2273.51","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.047","0.0375","","","0.1082","0.1149","","","","","","1.113","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225098","13.2798","0.0005","13.6291","0.0005","14.1655","0.0004","85.823","0.003","88.506","0.003","63.048","0.004","2279.23","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0537","0.0433","","","0.1194","0.1272","","","","","","1.125","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225099","13.192","0.0011","13.5237","0.001","14.1426","0.0008","85.88","0.005","89.094","0.006","63.263","0.008","2247.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0442","0.0354","","","0.0998","0.1048","","","","","","1.07","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225100","13.2572","0.0008","13.5997","0.0007","14.1795","0.0007","85.809","0.004","88.882","0.004","63.111","0.005","2273.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0551","0.0433","","","0.1168","0.126","","","","","","1.067","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225103","17.3778","0.0004","11.64042","0.00019","18.3475","0.0004","90","","110.413","0.003","90","","3478.36","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N3 O14.5 S3 Tb2 -","- C28 H28 N2 O14.5 S3 Tb2 -","- C112 H112 N8 O58 S12 Tb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0323","0.0271","","","0.0698","0.0728","","","","","","1.088","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225104","17.2053","0.0008","11.6462","0.0004","18.2629","0.0009","90","","110.462","0.005","90","","3428.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23.5 H27 N8 O13.5 S3 Yb2 -","- C28 H28 N2 O14.5 S3 Yb2 -","- C112 H112 N8 O58 S12 Yb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0624","0.0566","","","0.1091","0.1118","","","","","","1.165","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225105","17.3974","0.0003","11.64531","0.00019","18.375","0.0004","90","","110.319","0.002","90","","3491.09","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Gd2 N2 O15 S3 -","- C28 H28 Gd2 N2 O15 S3 -","- C112 H112 Gd8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0379","0.0323","","","0.0791","0.0827","","","","","","1.105","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225106","17.3358","0.0004","11.6348","0.0002","18.3198","0.0004","90","","110.426","0.003","90","","3462.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Dy2 N2 O15 S3 -","- C28 H28 Dy2 N2 O15 S3 -","- C112 H112 Dy8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.0733","0.0775","","","","","","1.045","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225126","33.368","0.009","13.694","0.003","23.569","0.007","90","","133.022","0.01","90","","7874","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-tris(phenylthio)-1,3,5-triazine","","- C21 H15 N3 S3 -","- C21 H15 N3 S3 -","- C336 H240 N48 S48 -","16","2","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0847","0.0523","","","0.1161","0.1345","","","","","","1.006","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225127","7.5595","0.0016","9.694","0.002","29.683","0.006","90","","96.753","0.004","90","","2160.1","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(p-tolylthio)-1,3,5-triazine","","- C24 H21 N3 S3 -","- C24 H21 N3 S3 -","- C96 H84 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.077","0.0514","","","0.1233","0.1545","","","","","","1.083","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225128","10.233","0.003","14.35","0.004","14.563","0.004","90","","90.98","0.005","90","","2138.2","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((4-chlorophenyl)thio)-1,3,5-triazine","","- C21 H12 Cl3 N3 S3 -","- C21 H12 Cl3 N3 S3 -","- C84 H48 Cl12 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.08","0.0461","","","0.1043","0.1298","","","","","","1.06","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225129","20.799","0.004","7.8317","0.0015","15.126","0.003","90","","109.382","0.005","90","","2324.3","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris((3-nitrophenyl)thio)-1,3,5-triazine","","- C21 H12 N6 O6 S3 -","- C21 H12 N6 O6 S3 -","- C84 H48 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2272","0.0756","","","0.1106","0.1432","","","","","","0.964","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225130","12.642","0.003","8.916","0.002","23.281","0.005","90","","97.804","0.006","90","","2599.8","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((2-methyl-5-nitrophenyl)thio)-1,3,5-triazine","","- C24 H18 N6 O6 S3 -","- C24 H18 N6 O6 S3 -","- C96 H72 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1009","0.0495","","","0.0995","0.1167","","","","","","1.007","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225131","9.411","0.002","12.295","0.003","13.934","0.003","108.662","0.004","108.819","0.003","92.389","0.004","1426.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N3 S3 -","- C30 H27 F3 N3 S3 -","- C60 H54 F6 N6 S6 -","2","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1076","0.093","","","0.245","0.2863","","","","","","1.163","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225132","11.446","0.002","9.9569","0.0018","22.647","0.004","90","","93.964","0.008","90","","2574.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 S3 -","- C27 H27 N3 S3 -","- C108 H108 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0946","0.0508","","","0.1135","0.1324","","","","","","1.022","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225133","13.491","0.005","10.406","0.004","23.955","0.009","90","","94.092","0.007","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 S3 -","- C36 H45 N3 S3 -","- C144 H180 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2417","0.0807","","","0.127","0.1836","","","","","","0.906","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225136","17.507","0.004","14.509","0.004","14.459","0.004","90","","121.212","0.007","90","","3141.1","1.4","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C32 H32 Cl2 Cu24 N48 O80 P2 W24 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0845","0.0643","","","0.1419","0.1479","","","","","","1.096","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225137","17.436","0.002","14.52","0.002","14.457","0.003","90","","121.431","0.004","90","","3123","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C32 H32 Cl2 Cu24 Mo24 N48 O80 P2 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0732","0.0562","","","0.1113","0.119","","","","","","1.051","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225145","9.2965","0.001","15.3442","0.0018","27.151","0.003","90","","91.243","0.003","90","","3872.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Co F12 Gd N3 O10 -","- C35 H26 Co F12 Gd N3 O10 -","- C140 H104 Co4 F48 Gd4 N12 O40 -","4","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0686","0.0468","","","0.0922","0.1001","","","","","","1.059","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225148","8.7174","0.0019","8.617","0.002","12.019","0.003","90","","93.283","0.006","90","","901.4","0.4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.052","0.0457","","","0.1007","0.1037","","","","","","0.965","","","","has coordinates","185219","2020-10-21","18:00:00",""
"7225149","8.7522","0.0004","8.6342","0.0004","12.141","0.0006","90","","90.136","0.004","90","","917.47","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.0265","0.0255","","","0.0651","0.0659","","","","","","1.035","","","","has coordinates,has disorder","185219","2020-10-21","18:00:00",""
"7225150","10.6574","0.0016","14.801","0.002","7.7136","0.0011","90","","97.635","0.003","90","","1206","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.35 Cl0.65 N2 Zn -","- C10 H8 Br1.346 Cl0.654 N2 Zn -","- C40 H32 Br5.384 Cl2.616 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0864","0.0418","","","0.0769","0.088","","","","","","1.032","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225151","10.7037","0.0016","14.806","0.002","7.7392","0.0012","90","","97.673","0.003","90","","1215.5","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.51 Cl0.49 N2 Zn -","- C10 H8 Br1.512 Cl0.488 N2 Zn -","- C40 H32 Br6.048 Cl1.952 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0425","0.0289","","","0.0691","0.0738","","","","","","1.077","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225152","10.755","0.006","14.818","0.008","7.775","0.004","90","","97.568","0.009","90","","1228.3","1.1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.75 Cl0.25 N2 Zn -","- C10 H8 Br1.754 Cl0.246 N2 Zn -","- C40 H32 Br7.016 Cl0.984 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0587","0.0313","","","0.0633","0.0706","","","","","","1.042","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225153","7.5299","0.0006","8.7931","0.0007","9.0498","0.0007","112.835","0.0019","94.457","0.002","95.707","0.002","545.06","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 Zn -","- C10 H8 Cl2 N2 Zn -","- C20 H16 Cl4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0309","0.0244","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225154","7.5668","0.001","8.8117","0.0011","9.083","0.0011","113.005","0.0018","94.6504","0.0019","95.787","0.0019","549.79","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.19 Cl1.81 N2 Zn -","- C10 H8 Br0.1859 Cl1.8141 N2 Zn -","- C20 H16 Br0.3718 Cl3.6282 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0247","0.0201","","","0.0471","0.0484","","","","","","1.073","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225155","7.6518","0.0005","8.8233","0.0006","9.1333","0.0006","113.523","0.0013","95.1819","0.0015","95.9954","0.0015","556.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.62 Cl1.38 N2 Zn -","- C10 H8 Br0.6191 Cl1.3809 N2 Zn -","- C20 H16 Br1.2382 Cl2.7618 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0209","0.0175","","","0.0436","0.0448","","","","","","1.038","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225156","7.6883","0.0008","8.8529","0.0009","9.1701","0.0009","113.7","0.0013","95.3265","0.0014","95.9991","0.0014","562.12","0.1","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.88 Cl1.12 N2 Zn -","- C10 H8 Br0.8808 Cl1.1192 N2 Zn -","- C20 H16 Br1.7616 Cl2.2384 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0202","0.0175","","","0.0441","0.045","","","","","","1.066","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225157","7.7335","0.0013","8.9213","0.0015","9.2304","0.0016","114.064","0.004","95.245","0.004","96.005","0.004","571.96","0.17","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.37 Cl0.64 N2 Zn -","- C10 H8 Br1.365 Cl0.635 N2 Zn -","- C20 H16 Br2.73 Cl1.27 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0522","0.035","","","0.0785","0.0811","","","","","","0.957","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225158","7.785","0.004","8.976","0.005","9.255","0.005","114.285","0.007","95.568","0.007","95.95","0.008","579.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.71 Cl0.29 N2 Zn -","- C10 H8 Br1.711 Cl0.289 N2 Zn -","- C20 H16 Br3.422 Cl0.578 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.095","0.0634","","","0.1482","0.166","","","","","","1.085","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225159","7.882","0.006","9.046","0.007","9.355","0.007","114.689","0.014","95.786","0.016","95.861","0.015","595.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.1121","0.0719","","","0.1996","0.2251","","","","","","1.047","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225160","10.6281","0.0012","14.7546","0.0016","7.6742","0.0008","90","","97.2146","0.0016","90","","1193.9","0.2","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C40 H32 Br3.6 Cl4.4 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0461","0.0354","","","0.0809","0.0846","","","","","","1.165","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225161","10.7082","0.0005","14.7769","0.0007","7.7285","0.0003","90","","97.3492","0.0014","90","","1212.87","0.09","321","2","321","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.36 Cl0.64 N2 Zn -","- C10 H8 Br1.358 Cl0.642 N2 Zn -","- C40 H32 Br5.432 Cl2.568 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.05","0.0289","","","0.0666","0.0732","","","","","","1.035","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225162","10.826","0.003","14.85","0.004","7.813","0.002","90","","97.435","0.005","90","","1245.5","0.6","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.77 Cl0.23 N2 Zn -","- C10 H8 Br1.766 Cl0.234 N2 Zn -","- C40 H32 Br7.064 Cl0.936 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0586","0.0313","","","0.0696","0.0782","","","","","","1.015","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225163","10.8238","0.0018","14.807","0.002","7.8103","0.0012","90","","97.425","0.003","90","","1241.2","0.3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0697","0.0351","","","0.0772","0.0886","","","","","","1.026","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225164","9.3081","0.0019","14.1","0.003","18.227","0.004","90","","96.81","0.03","90","","2375.3","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Zn(1,3-BDC)(abimb)]?H2O}n","","- C26 H21 N5 O5 Zn -","- C26 H21 N5 O5 Zn -","- C104 H84 N20 O20 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.085","0.0654","","","0.1388","0.1505","","","","","","1.016","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225165","11.976","0.002","13.901","0.003","17.491","0.006","90","","119.05","0.02","90","","2545.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn(5-Br-1,3-BDC)(bimcz)]n","","- C26 H16 Br N5 O4 Zn -","- C26 H16 Br N5 O4 Zn -","- C104 H64 Br4 N20 O16 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.2732","0.1205","","","0.1937","0.2538","","","","","","1.074","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225173","12.1488","0.001","10.8376","0.0008","12.125","0.0009","90","","107.254","0.003","90","","1524.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0637","0.0324","","","0.0617","0.0703","","","","","","1.023","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225174","13.03","0.005","11.026","0.005","17.428","0.005","90","0.005","100.716","0.005","90","0.005","2460.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N5 O3 Sn -","- C20 H35 N5 O3 Sn -","- C80 H140 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0794","0.0487","","","0.1343","0.1475","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225175","12.117","0.005","9.762","0.005","12.936","0.005","90","","103.504","0.005","90","","1487.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0455","0.0338","","","0.0782","0.0981","","","","","","1.118","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225176","16.6335","0.0008","18.0945","0.0009","15.1131","0.0008","90","","111.797","0.001","90","","4223.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 O9 Sn2 -","- C34 H62 N4 O9 Sn2 -","- C136 H248 N16 O36 Sn8 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0408","0.0341","","","0.0827","0.0863","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225177","10.7847","0.0006","7.4633","0.0004","19.1432","0.001","90","","100.684","0.001","90","","1514.11","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N5 O3 Sn -","- C11 H19 N5 O3 Sn -","- C44 H76 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0251","0.0223","","","0.0568","0.0599","","","","","","1.071","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225183","12.3354","0.0005","12.8534","0.0007","14.3146","0.0005","91.265","0.004","97.978","0.003","94.724","0.004","2238.71","0.17","121","1","121","1","","","","","","","","5","P -1","-P 1","2","","di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate","","- C46 H44 Co3 N4 O15 -","- C46 H44 Co3 N4 O15 -","- C92 H88 Co6 N8 O30 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.7107","MoKα","","0.0401","0.0298","","","0.0675","0.0722","","","","","","1.02","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225184","15.6278","0.0016","15.6996","0.0015","29.048","0.003","90.9201","0.001","104.139","0.0016","90.234","0.0013","6909.9","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","di[tetra(chrysazinato)-tetra(N,N-dimethylformamide)-tetra-cobalt(II)] di(N,N-dimethylformamide) solvate hemihydrate","","- C143.05 H120.45 Co8 N10.35 O42.85 -","- C142 H118 Co8 N10 O42.5 -","- C284 H236 Co16 N20 O85 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.0696","0.0627","","","0.1777","0.1829","","","","","","1.07","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225185","13.5308","0.0003","7.7288","0.0002","19.6854","0.0004","90","","99.38","0.002","90","","2031.11","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di(chrysazinato)-di-copper(II)","","- C28 H12 Cu2 O8 -","- C28 H12 Cu2 O8 -","- C112 H48 Cu8 O32 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.5418","CuKα","","0.0364","0.0314","","","0.088","0.0921","","","","","","1.066","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225188","10.0131","0.0004","8.4169","0.0004","18.1414","0.0008","90","","100.448","0.004","90","","1503.59","0.12","269.95","0.1","269.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N2 O10 -","- C34 H28 Fe N2 O10 -","- C68 H56 Fe2 N4 O20 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.54184","CuKα","","0.0444","0.0385","","","0.1055","0.1113","","","","","","1.039","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225189","8.2927","0.0004","15.5166","0.0007","15.8042","0.0006","118.226","0.004","92.344","0.004","92.239","0.004","1786.34","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate","","- C45 H26 Fe2 N O13.5 -","- C45 H26 Fe2 N O13.5 -","- C90 H52 Fe4 N2 O27 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0619","0.0516","","","0.1349","0.144","","","","","","1.022","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225191","9.7302","0.0006","13.4388","0.0005","17.0848","0.0007","95.504","0.003","97.873","0.004","95.172","0.004","2190.67","0.18","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","tetra(acetato)-tetra(chrysazinato)-tetra(N,N-dimethylformamide)-hexa-nickel(II) bis(N,N-dimethylformamide) solvate","","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","1","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0719","0.0598","","","0.166","0.181","","","","","","1.025","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225192","9.578","0.0007","11.0933","0.0008","20.1508","0.0014","90","","99.517","0.006","90","","2111.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N8 Ni2 O20 -","- C40 H36 N8 Ni2 O20 -","- C80 H72 N16 Ni4 O40 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.1422","0.0765","","","0.1479","0.1696","","","","","","1.135","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225194","15.7172","0.0009","4.0206","0.0002","17.5023","0.001","90","","114.595","0.001","90","","1005.67","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C40 H36 Br4 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0529","0.0362","","","0.0912","0.1001","","","","","","1.036","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225195","3.9208","0.0002","11.0581","0.0007","12.1034","0.0007","79.857","0.001","86.846","0.001","80.343","0.001","509.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0435","0.039","","","0.1037","0.1078","","","","","","1.046","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225196","4.0982","0.0003","13.3942","0.0009","20.0019","0.0014","90","","91.125","0.001","90","","1097.73","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0622","0.0554","","","0.164","0.1714","","","","","","1.055","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225197","18.77","0.002","4.742","0.0005","23.122","0.003","90","","90.86","0.001","90","","2057.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C80 H72 Br8 O24 -","8","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.055","0.0443","","","0.1043","0.1109","","","","","","1.075","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225198","9.9527","0.0005","10.3401","0.0005","12.2625","0.0006","82.421","0.0008","83.5482","0.0009","82.2157","0.0009","1233.65","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H28 O6 -","- C27.5 H28 O6 -","- C55 H56 O12 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0746","0.0668","","","0.1925","0.2028","","","","","","1.042","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225199","7.738","0.0006","8.1099","0.0006","10.0048","0.0008","71.822","0.001","84.921","0.001","64.415","0.001","537.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0719","0.0617","","","0.1697","0.1813","","","","","","1.062","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225200","7.5522","0.0009","8.1546","0.001","8.99","0.0011","91.546","0.002","111.209","0.002","94.653","0.002","513.5","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0669","0.0484","","","0.1301","0.1484","","","","","","1.032","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225201","8.3783","0.0004","9.3392","0.0005","9.5107","0.0005","75.719","0.001","82.633","0.001","69.677","0.001","675.55","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C31 H32 O6 -","1","0.5","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0536","0.0483","","","0.1307","0.1376","","","","","","1.045","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225202","9.0513","0.0005","10.3906","0.0005","14.5614","0.0007","108.141","0.001","102.794","0.001","94.194","0.001","1254.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Br2 O9 -","- C22 H26 Br2 O9 -","- C44 H52 Br4 O18 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0649","0.0482","","","0.1227","0.1317","","","","","","1.031","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225205","12.932","0.0004","18.982","0.0006","21.457","0.0007","90","","102.729","0.001","90","","5137.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Ag4 Mo24 N24 O90 P2 -","- C32 H32 Ag4 Mo24 N24 O90 P2 -","- C64 H64 Ag8 Mo48 N48 O180 P4 -","2","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0523","0.0486","","","0.1104","0.1121","","","","","","1.031","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225206","12.7322","0.001","13.6706","0.0011","16.522","0.0014","89.582","0.002","87.082","0.002","86.877","0.002","2867.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Ag N6 O49 P W12 -","- C21 H24 Ag N6 O49 P W12 -","- C42 H48 Ag2 N12 O98 P2 W24 -","2","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0981","0.0722","","","0.1954","0.2218","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225207","5.7985","0.0011","11.964","0.003","17.496","0.003","101.978","0.007","97.828","0.007","90.114","0.008","1175.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F4 N3 O5 S -","- C25 H21 F4 N3 O5 S -","- C50 H42 F8 N6 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0828","0.0536","","","0.1214","0.1308","","","","","","1.125","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225208","5.8888","0.0003","21.5969","0.0011","19.2814","0.001","90","","97.821","0.002","90","","2429.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N3 O6 S -","- C25 H21 F4 N3 O6 S -","- C100 H84 F16 N12 O24 S4 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0389","0.03","","","0.0696","0.0741","","","","","","1.028","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225238","13.6766","0.001","11.9042","0.0005","19.2758","0.0015","90","","109.348","0.009","90","","2961","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H16 O48 Sb8 V14 -","- O48 Sb8 V14 -","- O96 Sb16 V28 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1011","0.0676","","","0.1731","0.2071","","","","","","1.021","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225239","29.05","0.006","15.812","0.003","21.821","0.004","90","","128.43","0.03","90","","7852","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H70 Co2 N12 O47 Sb8 V14 -","- C18 H60 Co2 N12 O47 Sb8 V14 -","- C72 H240 Co8 N48 O188 Sb32 V56 -","4","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0533","0.0405","","","0.0949","0.0988","","","","","","1.08","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225240","7.488","0.0015","13.035","0.003","15.569","0.003","105.68","0.03","101.8","0.03","90.67","0.03","1428.5","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 Cl2 O8 -","- C33 H30 Cl2 O8 -","- C66 H60 Cl4 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0541","0.0505","","","0.1346","0.1374","","","","","","1.069","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225241","7.523","0.0015","11.901","0.002","15.487","0.003","107.5","0.03","101.49","0.03","96.92","0.03","1271.5","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0636","0.0527","","","0.1349","0.1432","","","","","","1.038","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225242","26.689","0.005","15.869","0.003","7.169","0.0014","90","","101.83","0.03","90","","2971.8","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 O8 -","- C34 H28 Cl2 O8 -","- C136 H112 Cl8 O32 -","4","0.5","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.1024","0.0884","","","0.2488","0.2597","","","","","","1.768","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225244","17.042","0.01","19.312","0.011","25.505","0.015","111.723","0.008","93.518","0.008","102.47","0.008","7521","8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H155 N7 O26 Zn8 -","- C139 H155 N7 O26 Zn8 -","- C278 H310 N14 O52 Zn16 -","2","1","","Kumari, Harshita; Mayhan, Collin M.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Metal exchange study of pyrogallol[4]arene based dimers","CrystEngComm","2016","18","26","4909","","10.1039/C6CE00639F","","","0.71073","MoKα","","0.3279","0.1297","","","0.3363","0.446","","","","","","1.006","","","","has coordinates","185189","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225247","8.8058","0.0005","9.1775","0.0006","14.0128","0.0008","84.071","0.005","85.136","0.004","82.927","0.005","1114.83","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0719","0.0622","","","0.176","0.1941","","","","","","1.042","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225248","23.2178","0.0016","25.566","0.002","10.7276","0.0007","90","","116.349","0.006","90","","5706.2","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate","","- C24.15 H20.15 Cl6.44 O6 -","- C23 H19 Cl3 O6 -","- C184 H152 Cl24 O48 -","8","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1144","0.0868","","","0.2545","0.2839","","","","","","1.046","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225249","13.1161","0.0004","11.8371","0.0003","24.858","0.0007","90","","97.306","0.003","90","","3828.03","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate","","- C24 H24 O5 -","- C24 H23 O5 -","- C192 H184 O40 -","8","2","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1069","0.0683","","","0.1783","0.206","","","","","","1.034","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225257","5.0156","0.001","18.675","0.004","22.796","0.005","90","","95.41","0.03","90","","2125.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O10 Tm -","- C20 H18 N3 O10 Tm -","- C80 H72 N12 O40 Tm4 -","4","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0453","0.0374","","","0.074","0.0774","","","","","","1.154","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225258","6.8757","0.0014","11.325","0.002","13.463","0.003","102.54","0.03","102.36","0.03","90.49","0.03","997.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Gd N3 O11 -","- C19 H18 Gd N3 O11 -","- C38 H36 Gd2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.023","0.0213","","","0.0562","0.0569","","","","","","1.063","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225259","6.9004","0.0014","11.235","0.002","13.381","0.003","102.47","0.03","101.76","0.03","90.56","0.03","990.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Er N3 O11 -","- C19 H18 Er N3 O11 -","- C38 H36 Er2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0535","0.044","","","0.0892","0.0931","","","","","","0.977","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225260","6.9043","0.0014","11.198","0.002","13.366","0.003","102.73","0.03","101.74","0.03","90.49","0.03","985.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O11 Tm -","- C19 H18 N3 O11 Tm -","- C38 H36 N6 O22 Tm2 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0198","0.0179","","","0.0455","0.0459","","","","","","1.048","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225261","8.476","0.002","9.029","0.002","10.274","0.003","73.979","0.003","85.725","0.003","84.377","0.003","751.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cd Cl N6 O -","- C12 H10 Cd Cl N6 O -","- C24 H20 Cd2 Cl2 N12 O2 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0314","0.028","","","0.0696","0.072","","","","","","1.048","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225262","6.3373","0.0008","10.7022","0.0014","11.3187","0.0015","107.774","0.002","95.235","0.002","104.287","0.001","696.78","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N7 O3 -","- C12 H8 Cd N7 O3 -","- C24 H16 Cd2 N14 O6 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0302","0.0264","","","0.0597","0.0617","","","","","","1.058","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225263","10.5519","0.0014","12.7771","0.0017","11.4874","0.0015","90","","93.251","0.002","90","","1546.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cd N6 O3 -","- C14 H13 Cd N6 O3 -","- C56 H52 Cd4 N24 O12 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.042","0.0292","","","0.0629","0.069","","","","","","1.013","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225264","21.508","0.004","14.936","0.003","10.109","0.002","90","","95.266","0.002","90","","3233.7","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd3 N24 -","- C24 H16 Cd3 N24 -","- C96 H64 Cd12 N96 -","4","0.5","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.051","0.0366","","","0.096","0.106","","","","","","1.045","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225265","24.09","0.002","14.7011","0.0014","20.418","0.002","90","","122.311","0.001","90","","6111.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd2 N14 O7 -","- C25 H20 Cd2 N14 O7 -","- C200 H160 Cd16 N112 O56 -","8","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0546","0.0326","","","0.069","0.0795","","","","","","1.03","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225266","13.076","0.008","12.914","0.008","11.69","0.007","90","","104.749","0.008","90","","1909","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cd2 N12 O2 -","- C14 H11 Cd2 N12 O2 -","- C56 H44 Cd8 N48 O8 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0559","0.0358","","","0.068","0.0764","","","","","","1.078","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225280","12.9417","0.0002","21.8435","0.0003","15.0559","0.0002","90","","94.18","0.0013","90","","4244.86","0.1","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu1.5 H24.5 O52.25 P W12 -","- Cu1.5 O52.25 P W12 -","- Cu6 O209 P4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.036","0.0291","","","0.0635","0.0656","","","","","","1.167","","","","has coordinates,has disorder","185267","2020-10-21","18:00:00",""
"7225281","12.9789","0.0006","22.2778","0.001","15.469","0.0005","90","","94.527","0.004","90","","4458.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0505","0.0373","","","0.0888","0.0969","","","","","","1.081","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225282","12.8897","0.0004","14.007","0.0005","15.3382","0.0004","63.169","0.003","71.079","0.003","63.827","0.003","2190.49","0.14","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu4 O112 Si2 W24 -","2","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.031","0.0266","","","0.0576","0.059","","","","","","1.154","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225283","12.901","0.0003","22.1952","0.0004","15.3468","0.0003","90","","94.432","0.002","90","","4381.27","0.16","123.7","0.6","123.7","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0353","0.0276","","","0.0553","0.0575","","","","","","1.106","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225284","12.795","0.003","17.242","0.004","16.094","0.004","90","","111.687","0.004","90","","3299.2","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0614","0.0385","","","0.0871","0.0973","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225285","16.2672","0.0018","12.932","0.0016","13.5101","0.0016","90","","107.112","0.002","90","","2716.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu Mo N4 O4 -","- C12 H10 Cu Mo N4 O4 -","- C96 H80 Cu8 Mo8 N32 O32 -","8","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0666","0.0595","","","0.1596","0.1684","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225286","11.833","0.003","13.247","0.003","13.648","0.003","90","","103.555","0.003","90","","2079.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0603","0.0532","","","0.1484","0.1546","","","","","","0.996","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225287","6.2723","0.0012","6.2723","0.0012","6.2723","0.0012","90","","90","","90","","246.76","0.08","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","CH3NH3PbI3","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.0208333","","Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua","Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability","CrystEngComm","2016","18","28","5257","","10.1039/C6CE00375C","","","0.71073","MoKα","","0.0433","0.0418","","","0.1016","0.1036","","","","","","1.2","","","","has coordinates","185272","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225332","15.3493","0.0011","15.4384","0.0013","21.013","0.0016","84.839","0.006","75.566","0.005","61.549","0.005","4237.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H103 N17 O35 S3 -","- C60 H80 N16 O34 S3 -","- C120 H160 N32 O68 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1012","0.0749","","","0.2137","0.2383","","","","","","0.895","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225334","15.3545","0.0017","15.5993","0.0018","21.362","0.002","83.354","0.006","72.763","0.006","62.704","0.006","4341.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H116 Br6 N12 O24 S3 -","- C57 H79 Br6 N9 O21 S3 -","- C114 H158 Br12 N18 O42 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2168","0.0843","","","0.2171","0.254","","","","","","0.837","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225347","42.3668","0.0002","42.3668","0.0002","42.3668","0.0002","90","","90","","90","","76046.1","0.6","100","0.11","100","0.11","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 Ni O8 S2 -","- C46 H44 N4 Ni O8 S2 -","- C2208 H2112 N192 Ni48 O384 S96 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.54184","CuKα","","0.1033","0.0869","","","0.2801","0.3084","","","","","","1.051","","","","has coordinates","185269","2020-10-21","18:00:00",""
"7225348","42.559","0.0002","42.559","0.0002","42.559","0.0002","90","","90","","90","","77085.8","0.6","100","0.1","100","0.1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 O9 S2 Zn -","- C46 H44 N4 O9 S2 Zn -","- C2208 H2112 N192 O432 S96 Zn48 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.5418","CuKα","","0.1027","0.0716","","","0.2056","0.2479","","","","","","1.039","","","","has coordinates,has disorder","185269","2020-10-21","18:00:00",""
"7225358","7.768","0.0016","9.1578","0.0018","10.466","0.002","90.77","0.03","98.75","0.03","95.52","0.03","732.2","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 Cu N3 O S -","- C13 H13 Cl2 Cu N3 O S -","- C26 H26 Cl4 Cu2 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.1007","0.0864","","","0.2365","0.2519","","","","","","1.036","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225359","12.6428","0.0003","9.0531","0.0002","15.2733","0.0004","90","","99.138","0.01","90","","1725.94","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C56 H52 Cu2 F12 N12 O16 S8 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0594","0.0391","","","0.0981","0.1084","","","","","","1.02","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225360","6.6282","0.0003","10.3741","0.0005","11.1178","0.0005","96.7","0.01","92.305","0.01","99.927","0.01","746.47","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B F4 N3 O S -","- C13 H14 B F4 N3 O S -","- C26 H28 B2 F8 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0854","0.0479","","","0.1152","0.1324","","","","","","1.099","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225361","8.2365","0.0003","9.636","0.0003","11.5943","0.0004","110.59","0.02","97","0.02","103.85","0.02","814.6","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0804","0.0641","","","0.1579","0.1662","","","","","","0.874","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225362","8.9556","0.0003","21.6859","0.0009","7.1433","0.0004","90","","98.9","0.01","90","","1370.6","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N8 O8 S2 -","- C26 H26 Cu N8 O8 S2 -","- C52 H52 Cu2 N16 O16 S4 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0691","0.0405","","","0.0938","0.1069","","","","","","1.063","","","","has coordinates,has disorder","185268","2020-10-21","18:00:00",""
"7225363","7.8394","0.0016","8.192","0.0016","12.372","0.003","104.4","0.03","92.42","0.03","116.28","0.03","679.3","0.4","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.0337","0.0268","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225364","4.2277","0.0002","11.0881","0.0008","14.3608","0.0012","90","","95.224","0.005","90","","670.4","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I S3 -","- C3 H I S3 -","- C12 H4 I4 S12 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.1504","0.0814","","","0.235","0.3345","","","","","","1.401","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225365","4.2308","0.0008","28.57","0.006","15.756","0.003","90","","95.7","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C7 I4.67 S7 -","- C6.9999 I4.6667 S6.9999 -","- C27.9996 I18.6668 S27.9996 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0629","0.0354","","","0.0687","0.079","","","","","","1.102","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225366","7.9979","0.0003","8.1038","0.0003","14.8354","0.0005","90","","96.761","0.001","90","","954.85","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","3-ethyl-4,5-diiodothiazole-2(3H)-thione","","- C5 H5 I2 N S2 -","- C5 H5 I2 N S2 -","- C20 H20 I8 N4 S8 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0332","0.0309","","","0.0753","0.0767","","","","","","1.104","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225368","12.8328","0.0012","16.1439","0.0015","16.2738","0.0015","84.645","0.002","79.837","0.002","69.372","0.002","3104","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N3 Ni3 O22.5 -","- C56 H34 Ni3 O22.5 -","- C112 H68 Ni6 O45 -","2","1","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71073","MoKα","","0.0806","0.0519","","","0.1228","0.1347","","","","","","0.997","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225369","13.8441","0.0006","17.6855","0.0007","21.1859","0.0008","90","","91.435","0.004","90","","5185.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co3 O25 -","- C56 H42 Co3 O25 -","- C224 H168 Co12 O100 -","4","0.5","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71","MoKα","","0.1039","0.0566","","","0.105","0.1245","","","","","","1.017","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225370","19.0949","0.0019","9.2904","0.0009","17.9875","0.0019","90","","110.543","0.005","90","","2988.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0984","0.0629","","","0.176","0.2424","","","","","","1.632","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225372","14.204","0.003","8.573","0.002","8.3934","0.0019","90","","91.851","0.013","90","","1021.5","0.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Diaminobenzene+lawsone","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.25","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.1261","0.0982","","","0.2413","0.2574","","","","","","1.134","","","","has coordinates,has disorder","185273","2020-10-21","18:00:00",""
"7225373","9.1366","0.0007","6.2639","0.0006","20.6631","0.0016","90","","94.489","0.005","90","","1178.94","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diaminobenzene+sebacic acid","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0796","0.0722","","","0.1854","0.1891","","","","","","1.213","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225375","7.3698","0.0003","21.6379","0.0012","14.5584","0.0007","90","","102.509","0.004","90","","2266.47","0.19","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C88 H56 Cl8 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0374","0.0272","","","0.0583","0.0614","","","","","","1.034","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225376","7.4264","0.0004","21.7744","0.0014","14.5258","0.0008","90","","102.97","0.005","90","","2289","0.2","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C88 H56 Br4 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1342","0.1448","","","","","","1.039","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225377","16.2788","0.0013","7.0245","0.0007","21.716","0.002","90","","98.966","0.007","90","","2452.9","0.4","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C96 H60 Cl4 F12 N12 O12 Pt4 S8 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0403","0.0288","","","0.0631","0.0673","","","","","","1.041","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225380","9.5458","0.0006","11.3671","0.0006","6.4745","0.0004","90","","111.126","0.007","90","","655.32","0.07","85","0.5","85","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0729","0.0739","","","","","","1.032","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225381","9.742","0.0009","11.5821","0.0008","6.5192","0.0006","90","","111.347","0.01","90","","685.11","0.11","230","0.1","230","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0441","0.0393","","","0.1079","0.1114","","","","","","1.076","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225382","9.519","0.0017","11.3199","0.0004","6.393","0.003","90","","111.78","0.03","90","","639.7","0.3","295","2","295","2","760000","","760000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0501","0.0409","","","0.1115","0.1152","","","","","","1.163","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225383","9.4194","0.0009","11.22","0.0003","6.379","0.004","90","","111.75","0.03","90","","626.2","0.4","295","2","295","2","1000000","","1000000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0305","0.0282","","","0.0732","0.0745","","","","","","1.097","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225384","4.7832","0.0005","12.0775","0.0004","16.3371","0.0005","90","","92.226","0.003","90","","943.07","0.11","290","","290","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine monohydrate","2-Methyl-4-quinolinamine","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.","4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form","CrystEngComm","2016","18","22","4053","","10.1039/C5CE01758K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.0966","3.71","","","","","","","has coordinates","183192","2020-10-21","18:00:00",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225397","10.2257","0.0002","12.3002","0.0002","19.2829","0.0003","77.153","0.001","77.761","0.001","72.052","0.001","2222.51","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Ag3 Co N10 O11 -","- C42 H37 Ag3 Co N10 O11 -","- C84 H74 Ag6 Co2 N20 O22 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0877","0.0557","","","0.1432","0.1662","","","","","","1.044","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225399","11.595","0.005","13.528","0.005","13.555","0.005","88.726","0.005","83.438","0.005","77.73","0.005","2064","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Ag Co N9 O9 -","- C42 H45 Ag Co N9 O9 -","- C84 H90 Ag2 Co2 N18 O18 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.1047","0.0808","","","0.2241","0.244","","","","","","1.092","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225400","12.288","0.003","16.136","0.004","18.416","0.005","90","","98.103","0.01","90","","3615.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ag Co N8 O5 -","- C40 H34 Ag Co N8 O5 -","- C160 H136 Ag4 Co4 N32 O20 -","4","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0616","0.0375","","","0.0874","0.1007","","","","","","1.03","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225405","13.2688","0.0018","17.186","0.002","14.3147","0.0019","90","","103.795","0.002","90","","3170.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Ag4 B4 F16 O8 S4 -","- C54 H68 Ag4 B4 F16 O8 S4 -","- C108 H136 Ag8 B8 F32 O16 S8 -","2","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0463","0.0371","","","0.0991","0.1055","","","","","","1.014","","","","has coordinates","185266","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225407","15.4","0.002","17.15","0.003","35.343","0.006","90","","93.279","0.002","90","","9319","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 La2 N76 O94 -","- C120 H126 La2 N76 O94 -","- C240 H252 La4 N152 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1514","0.0911","","","0.247","0.2966","","","","","","1.026","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225408","12.3756","0.0018","32.47","0.005","15.176","0.002","90","","92.089","0.005","90","","6094.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 La N27 O32.5 -","- C40 H44 La N27 O32.5 -","- C160 H176 La4 N108 O130 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1034","0.0558","","","0.1325","0.1575","","","","","","1.029","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225409","22.4385","0.0018","12.4556","0.001","14.7421","0.0013","90","","114.782","0.002","90","","3740.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Dy N24 O20 -","- C40 H44 Cl3 Dy N24 O20 -","- C80 H88 Cl6 Dy2 N48 O40 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0426","0.0421","","","0.1233","0.1237","","","","","","1.141","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225410","22.434","0.005","12.421","0.003","14.859","0.003","90","","115.105","0.007","90","","3749.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Ho N24 O22 -","- C40 H44 Cl3 Ho N24 O22 -","- C80 H88 Cl6 Ho2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0457","0.0455","","","0.1306","0.131","","","","","","1.125","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225411","22.429","0.003","12.4151","0.0015","14.8727","0.0018","90","","115.035","0.004","90","","3752.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Er N24 O26 -","- C40 H40 Cl3 Er N24 O26 -","- C80 H80 Cl6 Er2 N48 O52 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0733","0.0729","","","0.219","0.2199","","","","","","1.228","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225412","22.438","0.003","12.3991","0.0018","14.869","0.002","90","","115.027","0.002","90","","3748.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tm -","- C40 H48 Cl3 N24 O20 Tm -","- C80 H96 Cl6 N48 O40 Tm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0737","0.0732","","","0.2265","0.2275","","","","","","1.23","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225413","22.429","0.01","12.394","0.006","14.895","0.007","90","","115.018","0.004","90","","3752","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Yb -","- C40 H48 Cl3 N24 O20 Yb -","- C80 H96 Cl6 N48 O40 Yb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0725","","","0.2252","0.2262","","","","","","1.248","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225414","22.372","0.005","12.33","0.003","14.778","0.003","90","","114.881","0.007","90","","3698.1","1.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Lu N24 O22 -","- C40 H48 Cl3 Lu N24 O22 -","- C80 H96 Cl6 Lu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0762","0.0742","","","0.2233","0.2261","","","","","","1.194","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225415","15.375","0.004","17.143","0.004","35.259","0.009","90","","93.376","0.003","90","","9277","4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2'","","","- C120 H132 Ce2 N76 O64 -","- C120 H132 Ce2 N76 O64 -","- C240 H264 Ce4 N152 O128 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0939","0.057","","","0.1329","0.1473","","","","","","0.929","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225416","12.322","0.002","32.346","0.006","15.145","0.003","90","","92.505","0.002","90","","6030.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Ce N27 O33 -","- C40 H44 Ce N27 O33 -","- C160 H176 Ce4 N108 O132 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0754","0.0489","","","0.1241","0.1398","","","","","","1.028","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225418","15.507","0.008","17.145","0.009","35.161","0.019","90","","93.37","0.008","90","","9332","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N76 O56 Pr2 -","- C120 H132 N76 O56 Pr2 -","- C240 H264 N152 O112 Pr4 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0966","0.0505","","","0.1202","0.1394","","","","","","0.978","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225419","22.63","0.02","12.723","0.014","14.913","0.016","90","","116.085","0.01","90","","3856","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O34 Pr -","- C40 H44 N24 O34 Pr -","- C80 H88 N48 O68 Pr2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0707","","","0.2198","0.2239","","","","","","1.153","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225421","15.408","0.0017","17.0805","0.0019","35.289","0.004","90","","92.852","0.001","90","","9275.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 N78 Nd2 O94 -","- C120 H126 N78 Nd2 O94 -","- C240 H252 N156 Nd4 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.093","0.0728","","","0.2276","0.2487","","","","","","1.047","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225422","22.295","0.013","12.542","0.007","14.812","0.008","90","","116.125","0.006","90","","3719","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl0 N24 Nd O22 -","- C40 H44 N24 Nd O22 -","- C80 H88 N48 Nd2 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0347","0.0335","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225424","22.308","0.01","12.54","0.006","14.747","0.007","90","","115.685","0.004","90","","3718","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O20 Sm -","- C40 H46 N24 O20 Sm -","- C80 H92 N48 O40 Sm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0377","0.0354","","","0.0993","0.1017","","","","","","1.121","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225425","22.329","0.01","12.544","0.006","14.897","0.007","90","","116.15","0.005","90","","3745","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Eu N24 O22 -","- C40 H44 Eu N24 O22 -","- C80 H88 Eu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0641","0.0593","","","0.1666","0.1703","","","","","","1.088","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225426","22.397","0.003","12.4587","0.0016","14.729","0.002","90","","115.102","0.004","90","","3721.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Gd N24 O21 -","- C40 H48 Cl3 Gd N24 O21 -","- C80 H96 Cl6 Gd2 N48 O42 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0766","0.0736","","","0.224","0.228","","","","","","1.117","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225427","22.443","0.005","12.472","0.002","14.88","0.003","90","","115.094","0.007","90","","3771.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tb -","- C40 H48 Cl3.0002 N24 O20 Tb -","- C80 H96 Cl6.0004 N48 O40 Tb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0547","0.0541","","","0.1665","0.1671","","","","","","1.163","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","185259","2020-10-21","18:00:00",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225444","11.728","0.002","14.435","0.003","18.657","0.004","104.4","0.03","103.02","0.03","101.92","0.03","2862.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh1465/ssg1554/208","","- C40 H56 N8 Ni2 O8 P4 S10 -","- C40 H56 N8 Ni2 O8 P4 S10 -","- C80 H112 N16 Ni4 O16 P8 S20 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.6893","synchrotron","","0.1277","0.0969","","","0.2445","0.2663","","","","","","1.137","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225445","6.8385","0.0002","12.0415","0.0003","22.6405","0.0004","101.922","0.002","97.35","0.002","93.086","0.002","1802.95","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N4 Ni P2 S5 -","- C36 H28 N4 Ni P2 S5 -","- C72 H56 N8 Ni2 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0684","0.0407","","","0.1033","0.114","","","","","","0.964","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225446","12.8213","0.0003","7.2342","0.0002","19.1246","0.0003","90","","106.186","0.001","90","","1703.53","0.07","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","2007slh0908/189","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N3.984 Ni O4 P2 S5.016 -","- C56 H56 N7.968 Ni2 O8 P4 S10.032 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0459","0.0372","","","0.0741","0.0778","","","","","","1.04","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225447","16.542","0.003","7.489","0.002","20.642","0.006","90","","94.29","0.02","90","","2550","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0868","0.0492","","","0.1031","0.1164","","","","","","1.051","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225448","9.7075","0.0002","10.6736","0.0002","17.4582","0.0003","73.23","0.001","87.086","0.001","72.131","0.001","1647.02","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh0906/187","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N4 Ni O4 P2 S5 -","- C56 H56 N8 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0474","0.0361","","","0.0798","0.085","","","","","","1.038","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225450","14.0311","0.0013","14.9236","0.0013","12.846","0.0005","90","","113.786","0.005","90","","2461.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0739","0.0641","","","0.1917","0.1964","","","","","","1.161","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225451","8.3025","0.0003","13.6899","0.0006","15.9951","0.0007","90.908","0.003","99.985","0.003","104.369","0.003","1731.16","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 N5 O4 -","- C32 H51 N5 O4 -","- C64 H102 N10 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1527","0.0839","","","0.1765","0.2225","","","","","","1.098","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225452","20.7631","0.0008","8.2356","0.0003","21.9337","0.0008","90","","107.378","0.002","90","","3579.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 F N5 O4 -","- C32 H52 F N5 O4 -","- C128 H208 F4 N20 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1286","0.0707","","","0.1388","0.1613","","","","","","1.056","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225453","19.3315","0.0009","8.5518","0.0004","22.8978","0.001","90","","95.077","0.003","90","","3770.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl N5 O5 -","- C32 H54 Cl N5 O5 -","- C128 H216 Cl4 N20 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.2428","0.0688","","","0.1234","0.1632","","","","","","1.076","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225454","9.7527","0.001","13.1156","0.0014","13.1419","0.0014","96.951","0.001","107.563","0.001","98.293","0.001","1561.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C48 H48 Cl6 Cu6 Dy2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0387","0.0336","","","0.0804","0.0835","","","","","","1.047","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225455","9.7558","0.0013","13.1043","0.0017","13.1554","0.0017","97.247","0.002","98.245","0.002","107.215","0.002","1564.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Eu N3 O9 -","- C24 H22 Cl3 Cu3 Eu N3 O9 -","- C48 H44 Cl6 Cu6 Eu2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.049","","","0.1195","0.1285","","","","","","1.04","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225456","9.75","0.002","13.103","0.003","13.133","0.003","97.405","0.003","98.215","0.003","107.29","0.003","1559.3","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Gd N3 O9 -","- C24 H22 Cl3 Cu3 Gd N3 O9 -","- C48 H44 Cl6 Cu6 Gd2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0683","0.0561","","","0.1447","0.1547","","","","","","1.084","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225457","9.7468","0.0013","13.1256","0.0017","13.1381","0.0017","97.029","0.002","98.26","0.002","107.433","0.002","1562.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 N3 O9 Tb -","- C24 H22 Cl3 Cu3 N3 O9 Tb -","- C48 H44 Cl6 Cu6 N6 O18 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0512","0.0453","","","0.1154","0.12","","","","","","1.067","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225458","22.007","0.003","9.3047","0.0012","29.38","0.005","90","","110.486","0.001","90","","5635.6","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C192 H184 Cu8 Dy8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.041","0.0321","","","0.0792","0.0836","","","","","","1.036","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225459","21.998","0.002","9.2967","0.0009","29.381","0.004","90","","110.425","0.001","90","","5630.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Gd2 I2 N6 O17 -","- C48 H44 Cu2 Gd2 I2 N6 O17 -","- C192 H176 Cu8 Gd8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.033","0.0273","","","0.0639","0.0669","","","","","","1.015","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225460","22.069","0.004","9.2855","0.0015","29.444","0.005","90","","110.419","0.002","90","","5654.6","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C192 H184 Cu8 I8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0462","0.0316","","","0.0591","0.0639","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225461","21.9956","0.0015","9.2876","0.0006","29.387","0.003","90","","110.514","0.001","90","","5622.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C192 H184 Cu8 I8 N24 O68 Tb8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.053","0.0331","","","0.0586","0.0653","","","","","","0.994","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225462","22.078","0.002","9.3534","0.0009","28.855","0.004","90","","109.788","0.001","90","","5606.8","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu Eu N3 O9 -","- C24 H22 Br Cu Eu N3 O9 -","- C192 H176 Br8 Cu8 Eu8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0756","0.0476","","","0.1004","0.1144","","","","","","1.032","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225463","22.315","0.004","9.4268","0.0017","29.048","0.005","90","","110.025","0.002","90","","5741.1","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu La N3 O9 -","- C24 H22 Br Cu La N3 O9 -","- C192 H176 Br8 Cu8 La8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0854","0.0483","","","0.0999","0.1165","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225464","22.175","0.004","9.3814","0.0017","28.994","0.005","90","","110.156","0.002","90","","5662.3","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 Nd2 O17 -","- C48 H44 Br2 Cu2 N6 Nd2 O17 -","- C192 H176 Br8 Cu8 N24 Nd8 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0618","0.0409","","","0.0929","0.1025","","","","","","1.028","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225465","22.121","0.003","9.3741","0.0009","28.944","0.003","90","","110.003","0.002","90","","5639.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 O17 Sm2 -","- C48 H44 Br2 Cu2 N6 O17 Sm2 -","- C192 H176 Br8 Cu8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0421","0.0328","","","0.0748","0.0789","","","","","","1.033","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225466","8.1814","0.0011","8.2858","0.0011","18.974","0.003","86.452","0.003","84.078","0.002","79.676","0.002","1257.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Eu I2 N2 O10 -","- C17 H20 Cu2 Eu I2 N2 O10 -","- C34 H40 Cu4 Eu2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.0451","","","0.1008","0.1207","","","","","","1.069","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225467","8.161","0.003","8.25","0.003","18.961","0.006","86.444","0.007","83.969","0.006","79.622","0.006","1247.6","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Gd I2 N2 O10 -","- C17 H20 Cu2 Gd I2 N2 O10 -","- C34 H40 Cu4 Gd2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0958","0.0661","","","0.1541","0.1739","","","","","","0.954","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225468","8.2377","0.0017","8.366","0.0017","18.956","0.004","86.42","0.004","84.477","0.004","79.549","0.003","1277.4","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 I2 N2 Nd O10 -","- C17 H20 Cu2 I2 N2 Nd O10 -","- C34 H40 Cu4 I4 N4 Nd2 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0847","0.0621","","","0.1353","0.1451","","","","","","0.914","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225469","7.439","0.0017","7.797","0.002","21.617","0.005","86.532","0.004","87.711","0.004","65.178","0.004","1135.8","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C34 H32 Br4 Cu4 Gd2 N4 O16 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.1085","0.0667","","","0.1423","0.1738","","","","","","1.003","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225470","7.4069","0.0015","7.7788","0.0015","21.614","0.004","86.456","0.003","87.677","0.004","65.171","0.003","1127.9","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 N2 O8 Tb -","- C17 H14 Br2 Cu2 N2 O8 Tb -","- C34 H28 Br4 Cu4 N4 O16 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0939","0.0585","","","0.12","0.1387","","","","","","0.946","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225471","12.9013","0.0006","7.3232","0.0003","15.7261","0.0007","90","","113.248","0.005","90","","1365.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.054","0.0456","","","0.1215","0.131","","","","","","1.069","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225472","14.0621","0.0005","6.4884","0.0003","17.373","0.0007","90","","111.527","0.004","90","","1474.55","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5b","6-methoxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0479","0.0382","","","0.0987","0.1076","","","","","","1.04","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225473","5.17677","0.00017","9.5698","0.0003","30.6216","0.0009","90","","92.127","0.003","90","","1515.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5c","7-methoxy-3-(4-phenyl-1,2,3-triazol-1-yl)-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0689","0.0456","","","0.1057","0.1224","","","","","","1.037","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225474","11.7803","0.0004","19.8443","0.0006","7.6437","0.0002","90","","98.403","0.003","90","","1767.7","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5f","7-(diethylamino)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0612","0.0467","","","0.1259","0.141","","","","","","1.022","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225475","5.8032","0.0003","7.5652","0.0004","15.7517","0.0007","79.805","0.004","89.756","0.004","84.314","0.004","677.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5h","3-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H10 F N3 O2 -","- C17 H10 F N3 O2 -","- C34 H20 F2 N6 O4 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0591","0.0501","","","0.1349","0.1492","","","","","","1.047","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225476","5.8823","0.0004","7.5418","0.0004","18.0542","0.0008","78.784","0.004","83.537","0.004","83.826","0.005","777.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5j","3-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)-6-methoxy-2H-chromen-2-one","","- C18 H12 Cl N3 O3 -","- C18 H12 Cl N3 O3 -","- C36 H24 Cl2 N6 O6 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.048","0.0401","","","0.1097","0.1187","","","","","","1.0481","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225477","7.2786","0.0003","5.9228","0.0003","36.7067","0.0016","90","","90.466","0.005","90","","1582.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5k","7-methoxy-3-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0566","0.0424","","","0.1079","0.1178","","","","","","1.057","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225479","33.02","0.05","13.317","0.019","14.22","0.02","90","","101.739","0.015","90","","6122","15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu O8 -","- C21 H15 Eu O8 -","- C168 H120 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0886","0.0651","","","0.1721","0.1891","","","","","","1.019","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225480","33.13","0.02","13.572","0.008","14.049","0.009","90","","101.324","0.007","90","","6194","7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O8 Tb -","- C21 H15 O8 Tb -","- C168 H120 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0496","0.0375","","","0.0807","0.0832","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225481","33.69","0.03","12.97","0.011","14.771","0.012","90","","101.572","0.009","90","","6323","9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 La O8 -","- C21 H15 La O8 -","- C168 H120 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0543","0.0406","","","0.0918","0.096","","","","","","1.03","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225482","42.142","0.015","14.065","0.005","13.87","0.005","90","","101.996","0.005","90","","8042","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Eu O8 -","- C27 H19 Eu O8 -","- C216 H152 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.1276","0.1014","","","0.2569","0.2824","","","","","","0.994","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225483","42.145","0.007","14.296","0.003","13.771","0.002","90","","101.683","0.002","90","","8125","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 O8 Tb -","- C27 H19 O8 Tb -","- C216 H152 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0633","0.0461","","","0.1238","0.1277","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225485","24.799","0.018","13.263","0.01","14.971","0.011","90","","96.635","0.008","90","","4891","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 La O8 -","- C15 H11 La O8 -","- C120 H88 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.057","0.0448","","","0.1228","0.1331","","","","","","1.132","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225486","29.012","0.001","7.058","0.002","32.683","0.001","90","","105.991","0.003","90","","6433.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 O18 -","- C66 H90 N6 O18 -","- C264 H360 N24 O72 -","4","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.0772","0.076","","","0.2002","0.2008","","","","","","1.191","","","","has coordinates","185203","2020-10-21","18:00:00",""
"7225487","11.91","0.01","14.88","0.01","16.83","0.01","70.96","0.02","87.15","0.01","71.42","0.02","2668","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H64 O15 -","- C57.5 H64 O15 -","- C115 H128 O30 -","2","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.1089","0.1056","","","0.268","0.2738","","","","","","1.096","","","","has coordinates,has disorder","185203","2020-10-21","18:00:00",""
"7225488","5.3288","0.0004","18.3034","0.0013","10.3561","0.0008","90","","94.819","0.007","90","","1006.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O3 -","- C9 H7 N5 O3 -","- C36 H28 N20 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1234","0.0696","","","0.1405","0.167","","","","","","0.999","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225489","5.8474","0.0012","21.04","0.004","7.5567","0.0018","90","","107.25","0.02","90","","887.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1607","0.0848","","","0.1722","0.1998","","","","","","1.043","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225492","13.4933","0.0016","10.4263","0.0013","7.2548","0.0013","90","","93.731","0.013","90","","1018.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N4 O -","- C9 H7 Br N4 O -","- C36 H28 Br4 N16 O4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0704","0.0561","","","0.1464","0.1573","","","","","","1.091","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225493","11.7895","0.0005","11.7895","0.0005","17.6053","0.0008","90","","90","","120","","2119.17","0.16","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C81 H72 N36 O18 -","9","3","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0669","0.0455","","","0.101","0.1121","","","","","","1.005","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","185176","2020-10-21","18:00:00",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225540","8.7461","0.0007","10.5696","0.0008","11.8018","0.0009","95.426","0.003","105.576","0.003","95.516","0.003","1037.78","0.14","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","1","0.5","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0285","0.0271","","","0.0782","0.0793","","","","","","1.114","","","","has coordinates,has disorder","185177","2020-10-21","18:00:00",""
"7225541","10.529","0.0004","11.3431","0.0004","18.5469","0.0008","90","","101.742","0.002","90","","2168.73","0.15","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N8 O8 -","- C17 H18 Cd N8 O8 -","- C68 H72 Cd4 N32 O32 -","4","1","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0409","0.0336","","","0.0755","0.0788","","","","","","1.068","","","","has coordinates","185177","2020-10-21","18:00:00",""
"7225542","9.216","0.0003","26.743","0.001","13.932","0.0005","90","","96.91","0.001","90","","3408.8","0.2","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C32 H48 Co N7 O6 -","- C128 H192 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1208","0.0854","","","0.1948","0.2107","","","","","","1.069","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225543","9.168","0.0006","26.964","0.002","14.024","0.0011","90","","97.328","0.002","90","","3438.5","0.4","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C31.3 H44 Co N7 O5.3 -","- C125.2 H176 Co4 N28 O21.2 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.153","0.0839","","","0.16","0.1922","","","","","","1.062","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225544","8.88","0.0005","12.2","0.0008","16.687","0.0011","109.096","0.002","95.643","0.002","103.792","0.002","1628.16","0.18","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1029","0.0569","","","0.1153","0.1328","","","","","","1.023","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225545","8.9","0.0008","12.216","0.0012","16.818","0.0015","109.239","0.003","94.666","0.003","104.585","0.003","1643.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1865","0.0773","","","0.1688","0.2183","","","","","","1.055","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225546","17.211","0.0005","7.562","0.0002","21.477","0.0005","90","","107.555","0.001","90","","2665.04","0.12","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24 H30 Co N7 O6 -","- C96 H120 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.045","0.0376","","","0.0987","0.1017","","","","","","1.086","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225547","17.083","0.0006","7.633","0.0003","21.527","0.0008","90","","108.711","0.001","90","","2658.65","0.17","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24.093 H30.124 Co N7.031 O6 -","- C96.372 H120.496 Co4 N28.124 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1228","0.1288","","","","","","1.099","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225549","8.401","0.0005","13.093","0.0009","13.775","0.001","63.746","0.002","89.633","0.002","75.599","0.002","1306.78","0.15","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","","","","- C23 H27 Br Co N7 O5 -","- C23 H27 Br Co N7 O5 -","- C46 H54 Br2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1276","0.0533","","","0.1151","0.1605","","","","","","1.134","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225550","10.1677","0.0005","14.6615","0.0008","17.0409","0.0009","90","","106.069","0.001","90","","2441.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C112 H88 F24 S8 -","4","1","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0443","0.0399","","","0.0919","0.0941","","","","","","1.08","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225551","21.9703","0.0011","10.0662","0.0005","21.3","0.0011","90","","93.092","0.001","90","","4703.8","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C224 H176 F48 S16 -","8","2","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0554","0.0462","","","0.1006","0.1056","","","","","","1.116","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225552","10.7918","0.0003","13.7957","0.0005","20.5392","0.0005","83.691","0.003","87.739","0.002","86.459","0.003","3031.92","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.6 H131.2 Br11.2 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","1.5418","CuKα","","0.0884","0.069","","","0.1624","0.1759","","","","","","1.065","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225553","9.8061","0.0005","13.1997","0.0006","13.2846","0.0006","115.493","0.002","91.131","0.002","107.138","0.002","1461.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Cl4 N5 Pt -","- C31 H23 Cl4 N5 Pt -","- C62 H46 Cl8 N10 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0256","0.0206","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225554","10.7179","0.0003","13.6861","0.0004","20.5784","0.0007","84.512","0.003","87.526","0.002","85.48","0.002","2993.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0648","0.0465","","","0.0945","0.1022","","","","","","1.109","","","","has coordinates,has disorder","185275","2020-10-21","18:00:00",""
"7225565","6.7184","0.0011","9.4772","0.0014","9.9727","0.0015","94.5","0.002","96.361","0.003","98.937","0.002","620.44","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 O7 Zn -","- C11 H5 O7 Zn -","- C22 H10 O14 Zn2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.1004","0.0688","","","0.2055","0.3005","","","","","","1.036","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225566","7.648","0.002","16.648","0.005","11.768","0.003","90","","115.798","0.013","90","","1349","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O5 Zn -","- C14 H12 N O5 Zn -","- C56 H48 N4 O20 Zn4 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0655","0.0416","","","0.1271","0.1851","","","","","","1.087","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225567","10.861","0.003","6.3914","0.0015","17.003","0.004","90","","105.828","0.004","90","","1135.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O14 Zn3 -","- C22 H12 O14 Zn3 -","- C44 H24 O28 Zn6 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0645","0.0472","","","0.2042","0.2375","","","","","","1.028","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225568","12.206","0.011","17.833","0.015","15.309","0.013","90","","111.229","0.014","90","","3106","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O15 Zn2 -","- C26 H19 N O10 Zn2 -","- C104 H76 N4 O40 Zn8 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0652","0.0527","","","0.1584","0.1698","","","","","","0.993","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225569","7.935","0.001","6.8376","0.0009","21.605","0.003","90","","105.871","0.004","90","","1127.5","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Cd O11 -","- C22 H10 Cd O11 -","- C44 H20 Cd2 O22 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0485","0.0354","","","0.1051","0.1396","","","","","","1.07","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225571","6.881","0.001","7.7133","0.0011","9.8423","0.0014","94.799","0.002","98.494","0.002","96.112","0.002","511.09","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O5 Pb -","- C11 H5 O5 Pb -","- C22 H10 O10 Pb2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0723","0.0543","","","0.1571","0.2409","","","","","","1.065","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225572","11.248","0.002","12.241","0.002","12.431","0.003","102.219","0.006","92.044","0.007","109.964","0.006","1561.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0595","0.0519","","","0.1488","0.158","","","","","","1.064","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225573","11.2155","0.0019","12.436","0.002","12.44","0.002","102.507","0.008","91.252","0.008","110.743","0.008","1574.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0427","0.0374","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225574","11.3694","0.0007","12.439","0.0007","12.4649","0.0008","102.276","0.003","110.249","0.003","92.234","0.003","1603.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0674","0.056","","","0.1288","0.1395","","","","","","1.131","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225575","11.5248","0.0006","15.4562","0.0009","18.8105","0.0011","91.181","0.003","98.392","0.003","107.518","0.003","3153.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Mn3 N12 O17.5 -","- C60 H66 Mn3 N12 O17.5 -","- C120 H132 Mn6 N24 O35 -","2","1","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.1276","0.0892","","","0.2335","0.2719","","","","","","1.058","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225581","12.0439","0.0008","13.194","0.0005","25.6543","0.001","102.364","0.003","93.086","0.005","90.337","0.004","3975.7","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 Cl3 I3 N4 O12 -","- C74 H116 Cl3 I3 N4 O12 -","- C148 H232 Cl6 I6 N8 O24 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1396","0.0909","","","0.2347","0.285","","","","","","1.029","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225582","12.2171","0.0003","13.1621","0.0003","25.6541","0.0006","77.8171","0.0019","86.247","0.002","89.7322","0.0018","4023.52","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H118.6 Br3 I3 N4 O12.8 -","- C74 H118.6 Br3 I3 N4 O12.8 -","- C148 H237.2 Br6 I6 N8 O25.6 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0946","0.0831","","","0.2289","0.2472","","","","","","1.035","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225583","15.0087","0.0004","27.3833","0.0005","16.3215","0.0004","90","","91.343","0.002","90","","6706.1","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H96 Br3 I3 N4 O10 -","- C58 H96 Br3 I3 N4 O10 -","- C232 H384 Br12 I12 N16 O40 -","4","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0994","0.0692","","","0.1935","0.2275","","","","","","1.016","","","","has coordinates","185180","2020-10-21","18:00:00",""
"7225584","12.3868","0.0002","12.3868","0.0002","36.9094","0.0011","90","","90","","90","","5663.1","0.2","123","0.1","123","0.1","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C88 H128 Br7 I5 N8 O24 -","- C88 H128 Br7 I5 N8 O24 -","- C176 H256 Br14 I10 N16 O48 -","2","","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1237","0.1135","","","0.3201","0.3311","","","","","","1.17","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225592","11.756","0.003","18.059","0.005","23.342","0.006","90","","104.947","0.012","90","","4788","2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd Cl2 N4 O4 -","- C40 H32 Cd Cl2 N4 O4 -","- C160 H128 Cd4 Cl8 N16 O16 -","4","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0663","0.0531","","","0.1588","0.1692","","","","","","0.97","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225593","27.982","0.008","12.703","0.004","16.341","0.005","90","","125.27","0.006","90","","4742","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd Cl2 N2 O2 -","- C20 H16 Cd Cl2 N2 O2 -","- C160 H128 Cd8 Cl16 N16 O16 -","8","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0626","0.0466","","","0.1352","0.1426","","","","","","0.959","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225594","15.3055","0.0002","6.43674","0.00009","19.516","0.0003","87.279","0.0011","95.5964","0.0017","98.7257","0.0018","1890.31","0.05","173","2","173","2","","","","","","","see text","4","P -1","-P 1","2","sodium benzoate form II","sodium benzoate form II","","- C7 H5 Na O2 -","- C7 H5 Na O2 -","- C84 H60 Na12 O24 -","12","6","","Martin, T. W.; Gorelik, T. E.; Greim, D.; Butterhof, C.; Kolb, U.; Senker, J.; Breu, J.","Microphase separation upon crystallization of small amphiphilic molecules: ‘low’ temperature form II of sodium benzoate (E 211)","CrystEngComm","2016","18","31","5811","","10.1039/C6CE01281G","powder diffraction","","1.54175","CuKα","","","","","","","","","0.0058","2.831","","","","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225598","5.425","0.0002","7.7256","0.0003","25.4216","0.0008","90","","92.708","0.003","90","","1064.26","0.07","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(24-F2 or 10-016)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.131","0.0477","","","0.0782","0.0941","","","","","","0.837","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225601","11.0951","0.0003","12.1037","0.0003","16.9753","0.0003","90","","94.195","0.002","90","","2273.54","0.09","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_26 or 11-045)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C104 H72 F16 N8 O8 -","8","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.105","0.0628","","","0.1476","0.173","","","","","","1.027","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225603","5.4841","0.0003","7.8068","0.0006","12.6875","0.0005","106.756","0.005","98.878","0.004","90.151","0.005","513.26","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(F2_34 or 11-036)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0463","0.0409","","","0.1122","0.1174","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225604","5.4519","0.0002","7.7415","0.0005","12.9335","0.0007","106.965","0.005","100.535","0.004","90.213","0.004","512.37","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(34_F2 or 10-019)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0412","0.0333","","","0.0955","0.0983","","","","","","1.064","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225605","10.3601","0.0002","5.1575","0.0001","20.2429","0.0004","90","","103.012","0.002","90","","1053.85","0.04","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_35 or 11-035)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0384","0.034","","","0.0868","0.09","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225607","10.377","0.005","10.954","0.005","13.394","0.005","81.382","0.005","86.711","0.005","63.095","0.005","1342.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N8 O6 Zn -","- C28 H20 N8 O6 Zn -","- C56 H40 N16 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0465","0.04","","","0.1075","0.1123","","","","","","1.042","","","","has coordinates,has disorder","185182","2020-10-21","18:00:00",""
"7225608","8.0366","0.0001","9.3162","0.0002","12.3132","0.0002","97.715","0.001","108.104","0.001","113.175","0.001","770.05","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O7 Zn -","- C15 H15 N2 O7 Zn -","- C30 H30 N4 O14 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0421","0.0377","","","0.1092","0.1124","","","","","","1.075","","","","has coordinates","185182","2020-10-21","18:00:00",""
"7225609","4.8563","0.0007","9.3274","0.0009","20.671","0.003","90","","103.494","0.011","90","","910.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0774","0.0341","","","0.08","0.0957","","","","","","0.87","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225610","4.8492","0.0008","9.3222","0.0011","20.646","0.003","90","","103.324","0.013","90","","908.2","0.2","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1","0.0351","","","0.0785","0.1048","","","","","","0.843","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225611","4.8433","0.0007","9.3162","0.001","20.618","0.003","90","","103.172","0.012","90","","905.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0952","0.0377","","","0.0865","0.1155","","","","","","0.9","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225612","4.8349","0.0007","9.3138","0.001","20.579","0.003","90","","103.032","0.012","90","","902.8","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0828","0.0358","","","0.0786","0.0964","","","","","","0.874","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225613","4.8273","0.0007","9.3086","0.0009","20.535","0.003","90","","102.85","0.011","90","","899.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0839","0.0357","","","0.0815","0.1034","","","","","","0.939","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225614","4.8221","0.0006","9.3052","0.0009","20.493","0.003","90","","102.666","0.01","90","","897.2","0.2","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0362","","","0.0863","0.116","","","","","","0.972","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225615","4.8165","0.0006","9.3035","0.0008","20.45","0.003","90","","102.5","0.01","90","","894.65","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0752","0.0354","","","0.0836","0.1057","","","","","","0.983","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225616","4.8107","0.0006","9.3013","0.0008","20.411","0.003","90","","102.337","0.01","90","","892.22","0.19","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0744","0.0378","","","0.0892","0.1116","","","","","","1.013","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225617","4.8067","0.0006","9.3033","0.0008","20.367","0.002","90","","102.159","0.01","90","","890.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0392","","","0.0982","0.1264","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225628","4.8316","0.0003","9.291","0.002","20.4354","0.0015","90","","102.972","0.006","90","","893.9","0.2","293","2","293","2","100000","","100000","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.132","0.0619","","","0.1419","0.1915","","","","","","0.93","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225629","4.854","0.0004","9.3349","0.0011","19.2555","0.0015","98.866","0.008","92.311","0.006","96.887","0.008","854.31","0.14","293","2","293","2","400000","","400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1605","0.1012","","","0.2496","0.2992","","","","","","1.057","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225630","4.8193","0.0003","9.2205","0.0012","18.9807","0.0013","99.01","0.008","93.373","0.006","96.474","0.008","825.2","0.13","293","2","293","2","1010000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1571","0.0995","","","0.2501","0.3045","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225631","4.8011","0.0003","9.1664","0.0013","18.8557","0.0016","99.072","0.009","93.873","0.006","96.313","0.008","811.42","0.15","293","2","293","2","1480000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1395","0.0623","","","0.1306","0.1527","","","","","","0.91","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225632","4.7793","0.0003","9.0995","0.0012","18.7215","0.0016","99.175","0.008","94.392","0.006","96.158","0.008","795.48","0.14","293","2","293","2","1960000","","1960000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1325","0.0896","","","0.2193","0.2573","","","","","","1.03","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225633","4.7548","0.0003","9.0519","0.001","18.5909","0.0011","99.268","0.007","94.92","0.005","95.865","0.007","781.3","0.11","293","2","293","2","2460000","","2460000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1369","0.0653","","","0.1322","0.1525","","","","","","0.887","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225634","4.7294","0.0003","9.015","0.0012","18.4226","0.0014","99.561","0.008","95.475","0.006","94.927","0.008","766.86","0.13","293","2","293","2","3130000","","3130000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1382","0.0868","","","0.2096","0.2527","","","","","","1.043","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225635","4.7136","0.0003","8.9774","0.001","18.3305","0.0011","99.633","0.007","95.811","0.005","94.695","0.006","756.94","0.11","293","2","293","2","3570000","","3570000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1464","0.0943","","","0.2387","0.2875","","","","","","1.083","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225636","4.7036","0.0003","8.9504","0.0012","18.2696","0.0014","99.64","0.008","96.012","0.006","94.585","0.008","750.37","0.13","293","2","293","2","3980000","","3980000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1326","0.0829","","","0.2009","0.2423","","","","","","1.073","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225637","4.6911","0.0003","8.9235","0.0011","18.2045","0.0011","99.652","0.007","96.245","0.005","94.537","0.007","743.12","0.11","293","2","293","2","4400000","","4400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1233","0.079","","","0.197","0.2335","","","","","","1.045","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225638","4.6691","0.0003","8.8675","0.001","18.0795","0.0011","99.614","0.007","96.706","0.005","94.481","0.007","729.34","0.11","293","2","293","2","5310000","","5310000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1171","0.0709","","","0.1611","0.1964","","","","","","1.032","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225667","3.8653","0.0004","11.5522","0.0012","14.4711","0.0014","98.976","0.006","93.377","0.005","91.025","0.006","636.91","0.11","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0767","0.0457","","","0.0909","0.098","","","","","","1.019","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225668","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0295","0.0266","","","0.0813","0.0828","","","","","","1.063","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225669","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.021","0.017","","","","0.022","","","","","","1.33","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225670","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0763","0.0786","","","","","","1.039","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225671","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.022","0.016","","","","0.02","","","","","","1.204","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225672","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0399","0.0292","","","0.0592","0.0623","","","","","","1.055","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225675","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0372","0.0274","","","0.0816","0.0849","","","","","","1.047","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225676","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.032","0.019","","","","0.021","","","","","","1.131","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225677","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0524","0.0378","","","0.0891","0.0941","","","","","","1.103","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225678","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0303","0.0251","","","0.0816","0.0839","","","","","","1.056","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225679","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.023","0.015","","","","0.019","","","","","","1.171","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225680","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0799","0.083","","","","","","1.038","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225681","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.02","","","","","","1.088","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225682","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0409","0.0337","","","0.0779","0.0808","","","","","","1.106","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225683","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0557","0.0348","","","0.0939","0.1011","","","","","","1.017","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225684","7.14","0.005","9.29","0.005","14.774","0.005","90","0.005","94.463","0.005","90","0.005","977","0.9","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.06","0.028","","","","0.026","","","","","","1.155","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225685","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.1269","0.0888","","","0.223","0.2545","","","","","","0.989","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225686","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0509","0.0328","","","0.0909","0.0965","","","","","","1.02","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225687","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.051","0.027","","","","0.024","","","","","","1.094","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225688","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225689","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.034","0.024","","","","0.033","","","","","","2.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225692","7.9413","0.0003","8.901","0.0004","9.0838","0.0003","71.31","0.002","70.358","0.001","76.061","0.002","566.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0872","0.0903","","","","","","1.029","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225693","10.036","0.002","7.6591","0.0017","13.948","0.003","90","","99.62","0.014","90","","1057.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O6 -","- C20 H24 Cl2 N2 O6 -","- C40 H48 Cl4 N4 O12 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0668","0.0429","","","0.0909","0.0991","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225694","10.6104","0.0004","17.7659","0.0007","12.3211","0.0005","90","","108.681","0.001","90","","2200.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O7 -","- C20 H26 Cl2 N2 O7 -","- C80 H104 Cl8 N8 O28 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0962","0.1008","","","","","","1.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225695","8.0154","0.0003","9.3997","0.0003","11.8524","0.0005","71.632","0.002","88.044","0.002","86.436","0.002","845.75","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C32 H24 Cl6 N2 O12 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0775","0.0814","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225696","18.3393","0.0005","4.9542","0.0001","19.8433","0.0005","90","","110.869","0.001","90","","1684.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C64 H48 Cl12 N4 O24 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0267","0.0239","","","0.0644","0.0652","","","","","","1.064","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225697","8.4477","0.0003","10.5046","0.0003","18.2834","0.0004","99.084","0.0016","93.6611","0.0017","91.1015","0.0012","1598.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl5 N2 O10 -","- C29 H23 Cl5 N2 O10 -","- C58 H46 Cl10 N4 O20 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0583","0.0336","","","0.0816","0.0863","","","","","","1.05","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225698","11.7516","0.0011","11.5488","0.0012","15.4398","0.0015","90","","95.931","0.006","90","","2084.2","0.4","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl2 N O4 -","- C20 H25 Cl2 N O4 -","- C80 H100 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0791","0.0406","","","0.0862","0.1025","","","","","","1.026","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225699","20.1682","0.0002","20.1682","0.0002","20.1682","0.0002","90","","90","","90","","8203.54","0.14","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C60 H37.92 In8 N36 O55 -","- C60 H37.92 In8 N36 O55 -","- C120 H75.84 In16 N72 O110 -","2","0.0416667","","Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li","Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage","CrystEngComm","2016","18","30","5616","","10.1039/C6CE01164K","","","0.71073","MoKα","","0.0974","0.0912","","","0.2921","0.3045","","","","","","1.384","","","","has coordinates","185185","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225702","6.58182","0.00017","16.4019","0.0004","11.5843","0.0004","90","","98.923","0.003","90","","1235.44","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C8 H17 N O3 S3 -","- C8 H17 N O3 S3 -","- C32 H68 N4 O12 S12 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0374","0.0318","","","0.0736","0.0762","","","","","","1.067","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225705","5.0968","0.0003","6.7869","0.0003","16.636","0.001","78.801","0.005","87.344","0.005","69.141","0.005","527.34","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(1,5,3-dithiazepan-3-yl)butanoic acid","","- C8 H15 N O2 S2 -","- C8 H15 N O2 S2 -","- C16 H30 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.7107","MoKα","","0.0466","0.0384","","","0.119","0.1328","","","","","","0.943","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225707","4.9212","0.0005","30.519","0.002","6.7336","0.0004","90","","103.709","0.008","90","","982.51","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H12 N O2 S2 -","- C7 H12 N O2 S2 -","- C28 H48 N4 O8 S8 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0678","0.0536","","","0.1348","0.1448","","","","","","1.057","","","","has coordinates,has disorder","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","190385","2020-10-21","18:00:00",""
"7225712","5.964","0.002","20.098","0.008","14.385","0.008","90","","99.25","0.05","90","","1701.8","1.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8.018 H20.054 Br4 N Sb -","- C32.072 H80.216 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0663","0.046","","","0.1133","0.121","","","","","","0.915","","","","has coordinates,has disorder","186362","2020-10-21","18:00:00",""
"7225713","6.046","0.002","18.186","0.003","14.839","0.003","90","","96.32","0.02","90","","1621.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8 H20 Br4 N Sb -","- C32 H80 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0511","0.0325","","","0.0724","0.0752","","","","","","1.007","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225714","5.79","0.002","19.485","0.003","14.275","0.003","90","","101.28","0.03","90","","1579.4","0.7","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0728","0.0343","","","0.0589","0.0645","","","","","","0.822","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225715","5.75","0.002","19.314","0.003","14.248","0.003","90","","101.99","0.02","90","","1547.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0784","0.0803","","","","","","1.146","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225724","11.2301","0.0006","12.9434","0.0007","13.2453","0.0008","96.455","0.001","113.462","0.001","104.427","0.001","1661.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B Cu N12 O42 W12 -","- C36 H30 B Cu N12 O40 W12 -","- C36 H30 B Cu N12 O40 W12 -","1","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0828","0.0662","","","0.1455","0.1525","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225726","25.994","0.0003","25.994","0.0003","25.994","0.0003","90","","90","","90","","17563.8","0.4","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C76.6 H78.2 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","","","0.0733","0.055","","","0.1658","0.1969","","","","","","1.048","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225727","25.7627","0.0002","25.7627","0.0002","25.7627","0.0002","90","","90","","90","","17099.1","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79 H83 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0416","0.0365","","","0.108","0.1175","","","","","","1.155","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225728","25.77025","0.00014","25.77025","0.00014","25.77025","0.00014","90","","90","","90","","17114.2","0.16","250","2","250.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C77.1 H83.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0421","0.0382","","","0.1323","0.137","","","","","","1.172","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225729","25.7752","0.0002","25.7752","0.0002","25.7752","0.0002","90","","90","","90","","17124","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C73.98 H77.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.0545","0.0534","","","0.1958","0.1973","","","","","","1.109","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225730","25.8577","0.0002","25.8577","0.0002","25.8577","0.0002","90","","90","","90","","17289","0.2","250","2","250","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78.1 H74.6 N3 O13 S1.95 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.066","0.064","","","0.1951","0.2064","","","","","","1.227","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225731","10.886","0.002","10.237","0.002","11.376","0.002","90","","94.16","0.03","90","","1264.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br F4 N2 O -","- C8 H18 B Br F4 N2 O -","- C32 H72 B4 Br4 F16 N8 O4 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0984","0.0649","","","0.1464","0.1692","","","","","","0.967","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225732","10.919","0.002","10.331","0.002","11.33","0.002","90","","94.06","0.03","90","","1274.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O5 -","- C8 H18 Cl2 N2 O5 -","- C32 H72 Cl8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0569","0.0436","","","0.1037","0.1105","","","","","","1.055","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225733","11.018","0.002","10.388","0.002","11.406","0.002","90","","94.03","0.03","90","","1302.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Br Cl D2 N2 O5 -","- C8 H16 Br Cl D2 N2 O5 -","- C32 H64 Br4 Cl4 D8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0634","0.046","","","0.1014","0.1094","","","","","","1.045","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225734","10.98","0.002","10.333","0.002","11.37","0.002","90","","93.92","0.03","90","","1287","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0558","0.0427","","","0.0921","0.098","","","","","","1.088","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225735","11.055","0.006","10.452","0.006","11.388","0.006","90","","94.249","0.009","90","","1312.2","1.2","333","2","333","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.08","0.0521","","","0.0974","0.107","","","","","","1.11","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225736","11.067","0.002","10.483","0.002","11.404","0.002","90","","94.32","0.03","90","","1319.3","0.4","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.131","0.0576","","","0.1074","0.1336","","","","","","0.972","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225737","6.8562","0.0005","11.9649","0.0009","20.6362","0.001","78.951","0.005","88.87","0.005","76.106","0.006","1612.26","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) dihydrate","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0975","0.0848","","","0.2353","0.2446","","","","","","1.087","","","","has coordinates","287892","2023-11-30","16:04:10",""
"7225738","7.7787","0.0001","18.8747","0.0002","13.0343","0.0001","90","","91.528","0.001","90","","1913.02","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-phenylurea 5-nitroisophthalic acid acetone solvate","","- C18 H19 N3 O8 -","- C18 H19 N3 O8 -","- C72 H76 N12 O32 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0937","0.0969","","","","","","1.029","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225739","12.2579","0.0006","14.7289","0.0009","23.505","0.0014","94.49","0.005","91.215","0.004","90.291","0.004","4229.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Heptakis(n-phenylurea) tetrakis(5-nitroisophthalic acid) dimethanol solvate","","- C83 H84 N18 O33 -","- C83 H84 N18 O33 -","- C166 H168 N36 O66 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.1125","0.0553","","","0.1163","0.146","","","","","","1.015","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225740","6.9335","0.0003","12.4902","0.0007","25.4854","0.0013","89.062","0.005","83.694","0.004","74.923","0.003","2118.02","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) monohydrate ethanol solvate","","- C39 H42 N8 O17 -","- C39 H34 N8 O17 -","- C78 H68 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","0.9538","synchrotron","","0.1972","0.1019","","","0.2761","0.3331","","","","","","1.005","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225741","10.0887","0.0005","12.3161","0.0005","17.3345","0.001","70.478","0.005","87.122","0.004","87.659","0.004","2026.83","0.19","150","0.14","150","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) acetonitrile solvate","","- C39 H37 N9 O15 -","- C39 H37 N9 O15 -","- C78 H74 N18 O30 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","1.54184","CuKα","","0.0526","0.0396","","","0.1018","0.1125","","","","","","1.041","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225742","12.3639","0.0007","13.0486","0.001","13.8208","0.001","71.686","0.007","89.156","0.005","87.439","0.005","2114.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","'tris(n-phenylurea) bis(5-nitroisophthalic acid) acetone solvate hydrate","","- C40 H42 N8 O17 -","- C40 H42 N8 O17 -","- C80 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.2373","0.0834","","","0.1392","0.2","","","","","","0.959","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225743","12.3606","0.0005","13.4644","0.0006","14.3535","0.0006","81.404","0.004","83.684","0.004","64.194","0.004","2123.72","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran solvate hydrate","","- C41 H44 N8 O17 -","- C41 H44 N8 O17 -","- C82 H88 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0633","0.0509","","","0.1348","0.147","","","","","","1.034","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225744","9.8732","0.0004","10.997","0.0003","20.4449","0.0006","80.035","0.002","89.288","0.003","77.29","0.003","2131.99","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Hepta(n-phenylurea) tetra(5-nitroisophthalic acid) ethyl acetate solvate","","- C41 H42 N8 O17 -","- C41 H42 N8 O17 -","- C82 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0687","0.0539","","","0.1404","0.1547","","","","","","1.008","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225745","9.9483","0.0008","9.9564","0.0008","10.6641","0.0007","66.488","0.007","75.79","0.007","71.335","0.007","909.16","0.13","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate","","- C18 H21 N3 O8.5 -","- C19 H13 N3 O7.5 -","- C38 H26 N6 O15 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0721","0.0642","","","0.1914","0.204","","","","","","1.081","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225746","8.9131","0.0007","9.7105","0.0008","13.3778","0.0011","71.44","0.007","78.479","0.007","83.019","0.007","1073.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C44 H42 N10 O16 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.093","0.052","","","0.0933","0.1101","","","","","","1.023","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225747","15.1254","0.0003","12.7462","0.0002","16.2905","0.0004","90","","107.286","0.003","90","","2998.81","0.12","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(n-phenylurea) bis(5-nitroisophthalic acid)","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C120 H104 N24 O56 -","8","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0659","0.0526","","","0.1358","0.1426","","","","","","1.123","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225786","12.6235","0.0002","16.225","0.0004","18.622","0.0004","90.7497","0.0018","103.79","0.0018","102.411","0.0017","3609.26","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Cl8 I2 N4 O10 -","- C67 H68 Cl8 I2 N4 O10 -","- C134 H136 Cl16 I4 N8 O20 -","2","1","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0643","0.0544","","","0.1408","0.1513","","","","","","1.059","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225787","11.6992","0.0001","14.9802","0.0002","20.2256","0.0003","72.161","0.001","83.489","0.001","73.806","0.001","3238.85","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","1","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0362","0.0359","","","0.0987","0.0991","","","","","","1.041","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7225789","13.058","0.003","17.418","0.004","20.041","0.004","90","","108.21","0.03","90","","4329.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H48.5 Co N9.5 O7.5 -","- C35.5 H41.5 Co N8.5 O6.5 -","- C142 H166 Co4 N34 O26 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.1076","0.0887","","","0.2908","0.3118","","","","","","1.246","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225790","10.156","0.002","11.554","0.002","15.972","0.003","83.61","0.03","88.74","0.03","71.26","0.03","1763.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd N8 O6 -","- C34 H38 Cd N8 O6 -","- C68 H76 Cd2 N16 O12 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0385","0.0342","","","0.0821","0.0841","","","","","","1.098","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225791","10.0203","0.0004","11.3836","0.0004","15.9371","0.0005","82.852","0.001","87.396","0.001","72.518","0.001","1720.39","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N8 O6 Zn -","- C34 H38 N8 O6 Zn -","- C68 H76 N16 O12 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.0545","0.0398","","","0.0911","0.0973","","","","","","1.061","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225792","16.7033","0.0017","9.3648","0.0009","19.686","0.003","90","","108.139","0.005","90","","2926.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Cu N7 O5 -","- C31 H31 Cu N7 O5 -","- C124 H124 Cu4 N28 O20 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.1287","0.0584","","","0.1153","0.1459","","","","","","0.961","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225793","7.965","0.0016","8.04","0.0016","20.311","0.004","81.56","0.03","85.94","0.03","86.61","0.03","1281.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O5 Zn -","- C28 H26 N6 O5 Zn -","- C56 H52 N12 O10 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0916","0.0557","","","0.1239","0.1489","","","","","","1.043","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225798","9.484","0.0019","14.148","0.003","9.994","0.002","90","","109.45","0.03","90","","1264.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","synchrotron","","0.072","0.0627","","","0.164","0.1734","","","","","","1.026","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225800","9.875","0.002","9.422","0.0019","18.577","0.004","90","","104.92","0.03","90","","1670.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O3 -","- C17 H20 N4 O3 -","- C68 H80 N16 O12 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","Synchrotron","","0.0581","0.0489","","","0.1342","0.1409","","","","","","1.033","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225805","12.482","0.003","14.603","0.003","21.09","0.004","97.12","0.03","97.82","0.03","105.37","0.03","3620.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C80 H64 Cu8 N48 O80 Si2 W24 -","2","1","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.0845","0.0571","","","0.1172","0.129","","","","","","1.029","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225806","13.433","0.002","9.4245","0.0014","17.988","0.003","90","","94.098","0.002","90","","2271.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Ag3 N2 O7 -","- C25 H15 Ag3 N2 O7 -","- C100 H60 Ag12 N8 O28 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0344","0.0283","","","0.0687","0.0714","","","","","","1.041","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225807","7.9925","0.0005","11.0074","0.0007","13.5766","0.0009","73.142","0.002","73.262","0.002","71.833","0.002","1060.17","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Ag N2 O7 -","- C25 H17 Ag N2 O7 -","- C50 H34 Ag2 N4 O14 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.075","0.049","","","0.1306","0.1481","","","","","","1.001","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225808","10.0949","0.0007","24.2027","0.0015","10.3445","0.0008","90","","97.76","0.003","90","","2504.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cu I0 N4 O9 -","- C27 H22 Cu N4 O9 -","- C108 H88 Cu4 N16 O36 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0949","0.0512","","","0.1283","0.1528","","","","","","0.941","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225809","9.766","0.009","14.061","0.013","23.12","0.02","82.775","0.012","80.273","0.011","72.37","0.012","2973","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H51 Ag3 N12 O16 -","- C66 H51 Ag3 N12 O16 -","- C132 H102 Ag6 N24 O32 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0768","0.0577","","","0.1183","0.1433","","","","","","1.004","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225812","8.898","0.0018","9.247","0.0018","14.663","0.003","93.17","0.03","98.79","0.03","114.16","0.03","1078.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N O Si -","- C24 H24 Cl N O Si -","- C48 H48 Cl2 N2 O2 Si2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0816","0.0561","","","0.1456","0.164","","","","","","1.057","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225813","8.8297","0.0018","9.1147","0.0018","14.282","0.003","91.02","0.03","99.85","0.03","115.48","0.03","1016.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C50 H48 Cl2 N2 O2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0596","0.0384","","","0.0934","0.1058","","","","","","1.008","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225814","10.008","0.002","14.177","0.003","14.937","0.003","64.62","0.03","72.74","0.03","77.69","0.03","1819.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.1022","0.0516","","","0.1099","0.1314","","","","","","1.006","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225815","8.5764","0.0017","8.9494","0.0018","15.567","0.003","89.44","0.03","85.34","0.03","63.17","0.03","1062.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0563","0.0424","","","0.1048","0.1132","","","","","","1.022","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225816","8.761","0.0018","9.6081","0.0019","23.756","0.005","91.94","0.03","93.39","0.03","113.9","0.03","1821.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0695","0.0531","","","0.141","0.1541","","","","","","1.039","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225817","14.078","0.003","9.2242","0.0018","16.232","0.003","90","","96.74","0.03","90","","2093.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C100 H96 Cl4 N4 O4 -","4","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0665","0.0403","","","0.0907","0.1047","","","","","","1.028","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225818","8.8493","0.0018","9.1507","0.0018","14.38","0.003","91.4","0.03","99.68","0.03","115.03","0.03","1034.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.73 H24 Cl N O Si0.27 -","- C24.729 H24 Cl N O Si0.271 -","- C49.458 H48 Cl2 N2 O2 Si0.542 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0722","0.0588","","","0.1435","0.1527","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225819","8.8549","0.0018","9.148","0.0018","14.37","0.003","91.44","0.03","99.75","0.03","115.05","0.03","1033.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.76 H24 Cl N O Si0.24 -","- C24.756 H24 Cl N O Si0.244 -","- C49.512 H48 Cl2 N2 O2 Si0.488 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0845","0.0646","","","0.146","0.1585","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225822","20.032","0.003","21.9","0.003","27.421","0.004","113.261","0.002","92.344","0.003","96.129","0.002","10943","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Cl10 Mn10 N26 O38 -","- C117 H106 Cl10 Mn10 N26 O38 -","- C234 H212 Cl20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1432","0.0706","","","0.1595","0.1714","","","","","","0.986","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225823","20.239","0.009","21.285","0.009","26.335","0.011","113.598","0.006","91.571","0.007","95.727","0.006","10316","8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Br10 Mn10 N26 O38 -","- C117 H106 Br10 Mn10 N26 O38 -","- C234 H212 Br20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1638","0.0989","","","0.2351","0.2597","","","","","","1.133","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225824","6.9562","0.0003","19.7321","0.0008","13.4459","0.0006","90","","93.4175","0.0013","90","","1842.31","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N3 O5.5 S -","- C6 H10 N3 O5.5 S -","- C48 H80 N24 O44 S8 -","8","2","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","","0.71073","MoKα","","0.046","0.0366","","","0.0929","0.0986","","","","","","1.0594","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225825","6.6307","0.0004","16.328","0.0013","7.4836","0.0005","90","","92.183","0.007","90","","809.63","0.1","290","2","290","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br N3 O -","- C6 H8 Br N3 O -","- C24 H32 Br4 N12 O4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.086","0.0448","","","0.1056","0.125","","","","","","0.979","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225827","7.3259","0.0002","6.3982","0.0002","19.5779","0.0007","90","","98.246","0.001","90","","908.18","0.05","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0463","","","0.1206","0.1291","","","","","","1.052","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225839","3.8981","0.0003","13.3018","0.001","15.2307","0.0011","93.626","0.003","96.888","0.003","93.357","0.004","780.72","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Br2 F4 O2 -","- C17 H8 Br2 F4 O2 -","- C34 H16 Br4 F8 O4 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.025","0.0209","","","0.0511","0.0529","","","","","","1.031","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225840","17.0631","0.0012","4.1837","0.0003","24.5252","0.0019","90","","100.088","0.005","90","","1723.7","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 F4 I2 O2 -","- C17 H8 F4 I2 O2 -","- C68 H32 F16 I8 O8 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.0537","0.0355","","","0.0725","0.0795","","","","","","1.02","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","185257","2020-10-21","18:00:00",""
"7225842","8.435","0.006","11.431","0.008","17.048","0.012","105.141","0.014","92.907","0.018","104.043","0.016","1527.8","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.367","0.1381","","","0.301","0.4215","","","","","","0.912","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225843","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1136","0.0516","","","0.1169","0.1416","","","","","","1.002","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225844","8.5451","0.0015","10.8805","0.0019","17.346","0.003","94.925","0.003","91.831","0.003","111.868","0.003","1487.6","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.0891","0.0566","","","0.1358","0.1535","","","","","","1.057","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225845","8.482","0.0016","10.894","0.002","17.36","0.003","96.558","0.003","91.831","0.004","111.203","0.004","1481.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1159","0.0559","","","0.1352","0.1618","","","","","","1.004","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225846","8.44","0.002","10.918","0.003","17.372","0.004","98.412","0.004","92.041","0.004","109.825","0.005","1483.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C32.9978 H35.9976 O8.9994 -","- C65.9956 H71.9952 O17.9988 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1499","0.0707","","","0.1695","0.202","","","","","","1.038","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225847","8.37","0.003","10.992","0.004","17.276","0.006","101.552","0.005","92.358","0.006","107.262","0.006","1478.5","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1645","0.0757","","","0.1912","0.2287","","","","","","1.027","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225848","8.3738","0.0014","11.2351","0.0019","17.064","0.003","106.059","0.003","92.617","0.004","104.502","0.003","1482.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1333","0.0591","","","0.1459","0.1771","","","","","","0.982","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225849","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1075","0.0516","","","0.1169","0.1371","","","","","","1.024","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225850","8.3766","0.0014","11.2383","0.0018","17.082","0.003","106.072","0.004","92.601","0.003","104.599","0.003","1483.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1336","0.0559","","","0.1231","0.1551","","","","","","0.99","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225856","30.854","0.005","7.3079","0.0013","9.1538","0.0016","90","","103.466","0.003","90","","2007.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N6 O7 -","- C14 H36 N6 O7 -","- C56 H144 N24 O28 -","4","0.5","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0339","0.0312","","","0.0822","0.0839","","","","","","1.055","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225857","9.856","0.003","6.681","0.002","9.172","0.003","90","","108.778","0.004","90","","571.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazine monohydrate","","","- C4 H12 N2 O -","- C4 H12 N2 O -","- C16 H48 N8 O4 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0363","0.0337","","","0.091","0.0936","","","","","","1.041","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225860","10.5503","0.0006","8.933","0.0005","20.1876","0.001","90","","90.672","0.002","90","","1902.47","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O8 S Tb -","- C19 H13 N2 O8 S Tb -","- C76 H52 N8 O32 S4 Tb4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0467","0.0349","","","0.0785","0.0848","","","","","","1.04","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225861","8.8357","0.0008","10.6784","0.0009","10.9831","0.0009","80.877","0.002","69.329","0.002","88.555","0.002","956.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 N2 O9 S Sm -","- C19 H15 N2 O9 S Sm -","- C38 H30 N4 O18 S2 Sm2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0313","0.0306","","","0.0795","0.08","","","","","","1.028","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225862","8.8196","0.0012","10.6527","0.0014","10.9383","0.0015","80.996","0.002","69.223","0.002","88.54","0.002","948.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Eu N2 O9 S -","- C19 H15 Eu N2 O9 S -","- C38 H30 Eu2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0491","0.0405","","","0.0919","0.1109","","","","","","1.071","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225863","8.8819","0.0006","10.7645","0.0007","11.2236","0.0007","80.093","0.001","69.851","0.001","88.74","0.001","991.58","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 La N2 O9 S -","- C19 H15 La N2 O9 S -","- C38 H30 La2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0339","0.0297","","","0.0732","0.0763","","","","","","0.896","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225864","11.2382","0.0012","11.7405","0.0011","14.0474","0.0013","108.24","0.002","91.419","0.002","113.675","0.002","1587.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 La N4 O9 S2 -","- C35 H24 La N4 O9 S2 -","- C70 H48 La2 N8 O18 S4 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0507","0.0411","","","0.0782","0.0833","","","","","","0.976","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225865","10.5998","0.0011","8.953","0.0009","20.265","0.002","90","","90.979","0.002","90","","1922.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Eu N2 O8 S -","- C19 H11 Eu N2 O8 S -","- C76 H44 Eu4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.095","0.0462","","","0.085","0.1026","","","","","","0.978","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225866","10.57","0.001","8.94","0.0009","20.224","0.002","90","","90.868","0.002","90","","1910.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Gd N2 O8 S -","- C19 H13 Gd N2 O8 S -","- C76 H52 Gd4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0778","0.0381","","","0.0713","0.0839","","","","","","0.999","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225906","7.1752","0.0007","10.3078","0.001","12.3995","0.0012","86.613","0.002","87.488","0.002","71.906","0.002","869.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ethylene-9,9'-diadenine","9,9'-(1,2-ethanediyl)bis-9H-purin-6-amine tetra-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","1","0.5","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0506","0.0365","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225907","12.15","0.003","12.921","0.003","13.546","0.003","113.938","0.005","101.075","0.006","96.166","0.006","1866.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9-methyladenine dihexafluoro-2-propanol solvate","9-methyladenine di-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C12 H11 F12 N5 O2 -","- C12 H11 F12 N5 O2 -","- C48 H44 F48 N20 O8 -","4","2","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0991","0.056","","","0.1058","0.1211","","","","","","1.046","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225908","16.1748","0.0018","7.7639","0.0009","7.539","0.0008","90","","91.191","0.002","90","","946.54","0.18","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BDHN-TTF","bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene","","- C22 H16 S4 -","- C22 H16 S4 -","- C44 H32 S8 -","2","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.0463","0.036","","","0.0985","0.1062","","","","","","1.036","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225909","3.9274","0.0014","7.167","0.003","15.716","0.006","83.267","0.006","89.379","0.006","80.859","0.006","433.7","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","BN-TTF","bis(naphtho[1,2-d])tetrathiafulvalene","","- C22 H12 S4 -","- C22 H12 S4 -","- C22 H12 S4 -","1","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.1119","0.0492","","","0.098","0.1131","","","","","","0.968","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225922","3.8397","0.0019","16.676","0.008","20.455","0.01","90","","93.894","0.01","90","","1306.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","0.71073","MoKα","","0.1145","0.0862","","","0.1869","0.2022","","","","","","1.13","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225923","14.2812","0.0002","16.2445","0.0002","18.4229","0.0003","111.657","0.001","101.872","0.001","108.452","0.001","3506.82","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H81 Fe2 N O26 -","- C45 H40 Fe2 O20 -","- C90 H80 Fe4 O40 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54184","CuKα","","0.0474","0.0393","","","0.1201","0.1244","","","","","","1.112","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225924","12.6126","0.0002","13.5051","0.0002","14.6564","0.0003","73.585","0.001","87.921","0.001","71.445","0.001","2266.3","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Cd N3 O13 -","- C45 H41 Cd N3 O13 -","- C90 H82 Cd2 N6 O26 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54178","CuKα","","0.0374","0.0363","","","0.1041","0.1053","","","","","","1.091","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225972","8.1989","0.0016","12.206","0.002","10.024","0.002","90","","102.81","0.03","90","","978.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N9 O0 Zn -","- C6 H8 N9 Zn -","- C24 H32 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0695","0.0629","","","0.1848","0.1964","","","","","","1.109","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225974","7.7738","0.0005","14.0313","0.0009","10.2395","0.0007","90","","100.987","0.002","90","","1096.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Mn2 N18 O6 -","- C8 H22 Mn2 N18 O6 -","- C16 H44 Mn4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0402","0.0326","","","0.0777","0.0821","","","","","","1.049","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225975","7.776","0.004","13.987","0.006","8.352","0.004","90","","101.601","0.011","90","","889.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 Zn -","- C4 H5 N9 Zn -","- C16 H20 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0721","0.0488","","","0.1113","0.119","","","","","","0.986","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225976","7.7937","0.0006","14.2172","0.0012","10.3075","0.0008","90","","100.571","0.002","90","","1122.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cd2 N18 O6 -","- C8 H22 Cd2 N18 O6 -","- C16 H44 Cd4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0605","0.0629","","","","","","1.05","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225977","21.6492","0.0007","9.9528","0.0003","8.4146","0.0003","90","","105.597","0.001","90","","1746.33","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd2 N18 O -","- C8 H12 Cd2 N18 O -","- C32 H48 Cd8 N72 O4 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0227","0.0222","","","0.0639","0.0644","","","","","","1.071","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225980","10.6856","0.0006","7.3274","0.0004","18.8986","0.0011","90","","105.776","0.001","90","","1423.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cd2 N10 O5 -","- C6 H12 Cd2 N10 O5 -","- C24 H48 Cd8 N40 O20 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0181","0.0164","","","0.0369","0.0374","","","","","","1.1","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225981","8.0251","0.0004","10.0806","0.0006","12.6959","0.0007","89.821","0.0017","81.4586","0.0015","79.9673","0.0016","999.87","0.1","173","","173","2","","","","","","","","6","P -1","-P 1","2","","(anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H44 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","1","0.5","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","0.0458","0.0425","","","0.1068","0.112","","","","","","1.158","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225982","13.4658","0.0006","19.0314","0.001","24.7402","0.001","77.941","0.006","77.593","0.006","81.569","0.006","6021.1","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","(m-fluoroanilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H43 F N Ni O6 S10 -","- C32 H43 F N Ni O6 S10 -","- C192 H258 F6 N6 Ni6 O36 S60 -","6","3","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","","0.0744","","","","0.2437","","","","","","1.06","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7225987","19.086","0.0016","18.084","0.0017","15.847","0.0015","90","","107.522","0.004","90","","5215.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl2 Cu4 N4 O28 -","- C43 H56 Cl2 Cu4 N4 O28 -","- C172 H224 Cl8 Cu16 N16 O112 -","4","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71069","MoKα","","0.0959","0.0535","","","0.1205","0.1394","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226032","21.9466","0.0017","9.4061","0.0007","20.0971","0.0015","90","","117.266","0.0008","90","","3687.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N6 Ni2 O12 -","- C34 H38 N6 Ni2 O12 -","- C136 H152 N24 Ni8 O48 -","4","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0866","0.0638","","","0.1672","0.1867","","","","","","1.038","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226033","11.2195","0.0018","13.111","0.002","13.874","0.002","77.375","0.002","73.49","0.002","74.612","0.002","1863.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N6 Ni2 O13 -","- C34 H39 N6 Ni2 O13 -","- C68 H78 N12 Ni4 O26 -","2","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0792","0.0517","","","0.1181","0.1299","","","","","","0.988","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","187040","2020-10-21","18:00:00",""
"7226035","26.818","0.006","6.8919","0.0008","9.7465","0.0012","90","","100.459","0.017","90","","1771.5","0.5","293","","293","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.1426","0.079","","","0.2134","0.2549","","","","","","1.06","","","","has coordinates,has disorder","187040","2020-10-21","18:00:00",""
"7226036","10.9266","0.0009","18.0002","0.001","18.562","0.002","90","","96.911","0.01","90","","3624.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Co3 N4 O26 -","- C70 H70 Co3 N4 O26 -","- C140 H140 Co6 N8 O52 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.1405","0.1004","","","0.2714","0.3057","","","","","","1.061","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226037","16.7644","0.0003","17.8611","0.0002","16.4068","0.0002","90","","113.298","0.002","90","","4512.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H89 Cd3 N3 O44 -","- C54 H30 Cd3 O22 -","- C108 H60 Cd6 O44 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0646","0.0583","","","0.184","0.1912","","","","","","1.093","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226038","10.2193","0.0006","11.1861","0.0005","16.235","0.0007","95.006","0.001","91.712","0.002","112.69","0.001","1701.64","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","1","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","0.71073","MoKα","","0.1147","0.05","","","0.1157","0.16","","","","","","1.031","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226039","12.2813","0.0002","27.3205","0.0004","16.465","0.0002","90","","102.863","0.001","90","","5385.89","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 N4 O15 Zn2 -","- C47 H59 N4 O15 Zn2 -","- C188 H236 N16 O60 Zn8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0791","0.0687","","","0.2085","0.2204","","","","","","1.045","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226049","9.397","0.001","13.751","0.001","16.804","0.001","90","","95.736","0.001","90","","2160.5","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0312","0.0278","","","0.0645","0.066","","","","","","0.972","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226050","9.427","0.001","13.785","0.001","16.814","0.001","90","","95.667","0.001","90","","2174.3","0.3","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0572","0.0414","","","0.0945","0.1037","","","","","","0.877","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226051","9.45","0.001","13.796","0.001","16.753","0.001","90","","95.654","0.002","90","","2173.5","0.3","473","2","473","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.1033","0.0733","","","0.1806","0.21","","","","","","0.949","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226081","8.7424","0.0003","11.0479","0.0004","13.085","0.0004","71.61","0.003","83.241","0.003","85.831","0.003","1190.09","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag F6 N12 P -","- C16 H24 Ag F6 N12 P -","- C32 H48 Ag2 F12 N24 P2 -","2","1","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0452","0.0391","","","0.0912","0.0967","","","","","","1.032","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226082","9.4022","0.0005","9.0007","0.0006","21.7341","0.0012","90","","95.977","0.005","90","","1829.28","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C48 H72 Ag4 B4 F16 N36 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0856","0.0769","","","0.2059","0.2168","","","","","","1.074","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226083","9.33","0.0007","8.9872","0.0007","22.964","0.002","90","","97.11","0.007","90","","1910.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 F12 N18 P2 -","- C24 H36 Ag2 F12 N18 P2 -","- C48 H72 Ag4 F24 N36 P4 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","1.54184","CuKα","","0.1338","0.1082","","","0.275","0.2995","","","","","","1.07","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226084","5.5307","0.0003","13.1818","0.0007","12.0644","0.0006","90","","94.618","0.005","90","","876.69","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 N8 O6 -","- C10 H16 Ag2 N8 O6 -","- C20 H32 Ag4 N16 O12 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","0.71073","MoKα","","0.0425","0.0343","","","0.0743","0.0806","","","","","","1.069","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226085","7.5701","0.0003","10.994","0.0005","12.2207","0.0006","110.593","0.004","98.841","0.004","103.512","0.004","894.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","1","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","0.71073","MoKα","","0.0742","0.0618","","","0.1484","0.1612","","","","","","1.029","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226093","15.2246","0.0008","7.3657","0.0004","16.7773","0.0009","90","","106.831","0.002","90","","1800.81","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 N8 O11 Zn2 -","- C34 H28 N8 O11 Zn2 -","- C68 H56 N16 O22 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0631","0.0419","","","0.1152","0.1245","","","","","","1.03","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226094","7.3222","0.0003","25.5967","0.001","10.3654","0.0004","90","","99.32","0.001","90","","1917.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N4 Ni O8 -","- C17 H19 N4 Ni O8 -","- C68 H76 N16 Ni4 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0344","0.0325","","","0.0773","0.0785","","","","","","1.035","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226095","15.566","0.003","6.9981","0.0014","17.643","0.004","90","","107.99","0.03","90","","1827.9","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H27 N8 O9 Zn2 -","- C36 H27 N8 O9 Zn2 -","- C72 H54 N16 O18 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0526","0.0394","","","0.1039","0.1115","","","","","","1.038","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226096","29.9762","0.0012","6.7809","0.0003","21.3475","0.0009","90","","121.734","0.001","90","","3690.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cd N4 O6 -","- C18 H17 Cd N4 O6 -","- C144 H136 Cd8 N32 O48 -","8","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0288","0.0256","","","0.0728","0.0839","","","","","","1.067","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226097","16.7407","0.0006","9.5561","0.0003","16.5918","0.0006","90","","90.525","0.003","90","","2654.18","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O18 -","- C20 H30 N4 O18 -","- C80 H120 N16 O72 -","4","0.5","","Kerr, Hannah E.; Mason, Helen E.; Sparkes, Hazel A.; Hodgkinson, Paul","Testing the limits of NMR crystallography: the case of caffeine‒citric acid hydrate","CrystEngComm","2016","18","35","6700","","10.1039/C6CE01453D","","","0.71073","MoKα","","0.063","0.0457","","","0.1","0.1108","","","","","","1.05","","","","has coordinates,has disorder","186351","2020-10-21","18:00:00",""
"7226122","11.8183","0.0006","7.9251","0.0004","8.957","0.0005","90","","90.047","0.003","90","","838.92","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0461","0.0369","","","0.0899","0.0952","","","","","","1.05","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226125","12.7772","0.0011","5.1405","0.0004","20.7792","0.0016","90","","99.085","0.005","90","","1347.68","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0467","0.0395","","","0.077","0.0793","","","","","","1.186","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226126","21.0485","0.0013","4.6303","0.0003","12.8294","0.0007","90","","102.835","0.004","90","","1219.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0492","0.0411","","","0.0691","0.0713","","","","","","1.225","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226127","12.6626","0.0017","7.0591","0.001","15.395","0.002","90","","94.006","0.002","90","","1372.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0568","0.0484","","","0.1309","0.1354","","","","","","1.054","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226128","27.607","0.006","4.6224","0.0011","9.75","0.002","90","","93.235","0.003","90","","1242.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F I N2 O -","- C13 H10 F I N2 O -","- C52 H40 F4 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0409","0.0316","","","0.0792","0.0834","","","","","","1.04","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226129","12.481","0.002","9.9446","0.0016","23.867","0.004","90","","96.736","0.002","90","","2941.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C112 H104 I8 N16 O8 S8 -","8","2","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0643","0.0567","","","0.1265","0.13","","","","","","1.181","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226130","8.1518","0.0006","18.2688","0.0013","9.5334","0.0007","90","","93.672","0.001","90","","1416.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C56 H52 I4 N8 O4 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0268","0.0258","","","0.058","0.0584","","","","","","1.228","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226132","15.3895","0.0012","5.4985","0.0005","17.1612","0.0015","90","","116.18","0.004","90","","1303.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0639","0.0549","","","0.1094","0.1126","","","","","","1.24","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226133","26.18","0.0017","4.6273","0.0003","9.9779","0.0007","90","","91.646","0.003","90","","1208.25","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0385","0.0274","","","0.0853","0.1324","","","","","","1.187","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226134","27.253","0.005","4.6408","0.0009","9.8532","0.0018","90","","91.991","0.006","90","","1245.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","1.54178","CuKα","","0.0717","0.057","","","0.1608","0.1728","","","","","","1.15","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226135","13.5715","0.0005","15.217","0.0005","24.985","0.0009","77.706","0.003","89.786","0.003","73.329","0.003","4820.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 Ag4 N14 O63 P2 W18 -","- C42 Ag4 N14 O63 P2 W18 -","- C84 Ag8 N28 O126 P4 W36 -","2","1","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.1398","0.101","","","0.2767","0.3106","","","","","","1.057","","","","has coordinates,has disorder","187055","2020-10-21","18:00:00",""
"7226136","27.2878","0.0014","14.5549","0.0005","24.4249","0.0012","90","","115.836","0.006","90","","8731.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N12 O62 P2 W18 -","- C36 H28 N12 O62 P2 W18 -","- C144 H112 N48 O248 P8 W72 -","4","0.5","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.0555","0.0394","","","0.095","0.1043","","","","","","1.086","","","","has coordinates","187055","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226147","7.8032","0.0007","9.6586","0.0009","11.4038","0.0011","78.367","0.007","81.78","0.007","76.496","0.007","814.39","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br Cl2 Hg N3 O -","- C15 H10 Br Cl2 Hg N3 O -","- C30 H20 Br2 Cl4 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0704","0.041","","","0.1046","0.1101","","","","","","1.191","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226148","5.1029","0.0007","13.9355","0.0014","18.293","0.003","90","","92.318","0.011","90","","1299.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.091","0.085","","","0.1569","0.1962","","","","","","1.194","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226149","5.0499","0.0007","13.8172","0.0011","18.221","0.002","90","","93.432","0.01","90","","1269.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C60 H40 Cl4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.1609","0.0989","","","0.1368","0.1555","","","","","","1.201","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226150","8.5716","0.0007","9.8507","0.0009","11.6901","0.001","103.615","0.007","103.475","0.007","102.305","0.007","894.64","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Cl Hg I2 N3 O -","- C15 H10 Cl Hg I2 N3 O -","- C30 H20 Cl2 Hg2 I4 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0914","0.0763","","","0.1888","0.2029","","","","","","1.044","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226151","7.8587","0.0009","9.8104","0.001","11.5257","0.0013","76.986","0.008","80.953","0.009","75.314","0.009","832.75","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br2 Cl Hg N3 O -","- C15 H10 Br2 Cl Hg N3 O -","- C30 H20 Br4 Cl2 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0756","0.0479","","","0.0975","0.1078","","","","","","1.049","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226152","7.7489","0.0011","9.6446","0.0012","11.3533","0.0013","77.812","0.009","81.537","0.01","76.841","0.01","803.2","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl3 Hg N3 O -","- C15 H10 Cl3 Hg N3 O -","- C30 H20 Cl6 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0625","0.0481","","","0.1119","0.1183","","","","","","1.085","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226153","4.8886","0.0011","6.6448","0.0015","13.171","0.003","90","","96.305","0.005","90","","425.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cu K2 O8 -","- C4 Cu K2 O8 -","- C8 Cu2 K4 O16 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0367","0.0332","","","0.0753","0.0768","","","","","","1.174","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226154","6.904","0.002","8.66","0.003","8.929","0.003","107.95","0.004","99.637","0.004","97.637","0.004","490.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Cu K2 O10 -","- C4 H4 Cu K2 O10 -","- C8 H8 Cu2 K4 O20 -","2","1","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.029","0.0283","","","0.0774","0.0781","","","","","","1.075","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226155","3.7345","0.0007","14.764","0.003","10.742","0.002","90","","93.23","0.03","90","","591.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cu K2 O12 -","- C4 H8 Cu K2 O12 -","- C8 H16 Cu2 K4 O24 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0333","0.0304","","","0.0623","0.064","","","","","","1.132","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226156","8.094","0.002","8.186","0.002","13.626","0.004","104.044","0.015","92.51","0.015","99.071","0.014","861.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-diethylphosphono-4'-biphenyl carboxylic acid methyl ester","","- C18 H21 O5 P -","- C18 H21 O5 P -","- C36 H42 O10 P2 -","2","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0719","0.0595","","","0.1632","0.175","","","","","","1.072","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226157","5.2848","0.0012","8.1031","0.0018","27.371","0.006","90","","91.766","0.012","90","","1171.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H9 O5 P Zn -","- C13 H9 O5 P Zn -","- C52 H36 O20 P4 Zn4 -","4","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.083","0.0681","","","0.152","0.163","","","","","","1.053","","","","has coordinates,has disorder","185042","2020-10-21","18:00:00",""
"7226158","59.003","0.011","5.4907","0.0009","7.8375","0.0012","90","","93.644","0.009","90","","2534","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Hg O5 P -","- C13 H10 Hg O5 P -","- C104 H80 Hg8 O40 P8 -","8","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0932","0.0699","","","0.1646","0.1763","","","","","","1.03","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226162","8.6093","0.0004","9.1855","0.0004","9.5881","0.0004","94.55","0.001","94.069","0.001","96.684","0.001","748.24","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Complex 1","","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","1","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.037","0.0362","","","0.143","0.1439","","","","","","1.338","","","","has coordinates,has disorder","185043","2020-10-21","18:00:00",""
"7226163","20.232","0.004","9.072","0.0018","16.015","0.003","90","","116.84","0.03","90","","2622.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Complex 2","","- C10 H12 K O16 Tb -","- C10 H12 K O16 Tb -","- C40 H48 K4 O64 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.0495","0.0481","","","0.1724","0.1771","","","","","","1.014","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226166","7.3614","0.0018","13.234","0.004","13.939","0.004","106.77","0.04","104.9","0.04","98.84","0.04","1217.8","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C24 H68 N8 O32 S4 Zn2 -","2","1","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0367","0.0299","","","0.0757","0.079","","","","","","1.067","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226167","7.3453","0.0018","12.594","0.004","20.074","0.006","80.6","0.03","83.38","0.03","89.56","0.03","1819.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C36 H102 N12 O48 S6 Zn3 -","3","1.5","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0526","0.0407","","","0.1078","0.1117","","","","","","1.038","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226168","10.4863","0.0014","14.79","0.002","10.8544","0.0015","90","","116.161","0.002","90","","1511","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C52 H48 Cl8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0223","0.0183","","","0.0403","0.0418","","","","","","1.032","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226169","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226170","7.5527","0.0002","14.5337","0.0005","16.8369","0.0004","102.817","0.002","94.897","0.002","98.141","0.002","1770.85","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N12 O2 Pb2 S4 -","- C30 H24 N12 O2 Pb2 S4 -","- C60 H48 N24 O4 Pb4 S8 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0344","0.0248","","","0.0425","0.0454","","","","","","1.059","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226171","7.8658","0.0007","8.6864","0.0007","11.002","0.0009","100.321","0.004","92.891","0.005","95.189","0.004","734.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C26 H24 Cl4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0182","0.0172","","","0.0434","0.0439","","","","","","1.034","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226172","9.0537","0.0003","23.1055","0.0008","7.8698","0.0003","90","","98.458","0.001","90","","1628.38","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C52 H48 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0437","0.029","","","0.0507","0.0538","","","","","","1.027","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226173","8.6135","0.0004","9.3532","0.0007","11.1952","0.001","87.356","0.007","87.566","0.005","82.906","0.005","893.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 N6 O Pb S2 -","- C15 H12 N6 O Pb S2 -","- C30 H24 N12 O2 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","x-ray","0.71073","MoKα","","0.0363","0.0319","","","0.0773","0.0793","","","","","","1.147","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226185","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226186","17.781","0.0019","9.6259","0.001","11.3461","0.0012","90","","125.714","0.002","90","","1576.8","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-perfluoropyridyl-1,2,3,5-dithiadiazolyl","","- C6 F4 N3 S2 -","- C6 F4 N3 S2 -","- C48 F32 N24 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.0195","0.0133","","","0.0174","0.0177","","","","","","0.926","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226187","7.794","0.002","9.057","0.003","9.169","0.003","90.38","0.03","91.24","0.02","107.59","0.02","616.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N4 O7 Zn2 -","- C9 H7 N4 O7 Zn2 -","- C18 H14 N8 O14 Zn4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0613","0.0472","","","0.1129","0.1192","","","","","","1.04","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226188","11.2006","0.0016","11.1967","0.0016","18.5221","0.0018","90","","121.7","0.006","90","","1976.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N6 O5 Pb -","- C21 H14 N6 O5 Pb -","- C84 H56 N24 O20 Pb4 -","4","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0241","0.0208","","","0.0513","0.0525","","","","","","1.063","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226189","7.8513","0.0002","9.1456","0.0002","10.6941","0.0003","112.083","0.002","108.443","0.002","96.463","0.001","651.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 N4 O7 Pb2 -","- C9 H3 N4 O7 Pb2 -","- C18 H6 N8 O14 Pb4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0481","0.0456","","","0.1273","0.1298","","","","","","1.041","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226207","9.8334","0.0005","10.2673","0.0006","15.0986","0.0009","87.742","0.005","89.51","0.004","66.545","0.005","1397.31","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","C1N","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0364","0.0295","","","0.075","0.0778","","","","","","1.022","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226208","10.7768","0.0009","11.0362","0.0008","12.2584","0.0005","85.195","0.005","78.024","0.005","80.116","0.006","1403.3","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C1S","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.0951","0.1072","","","","","","1.113","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226209","15.7005","0.0007","8.0099","0.0004","10.3633","0.0005","90","","94.374","0.004","90","","1299.49","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C2P","","","- C12 H9 Cu N4 O2 S -","- C12 H9 Cu N4 O2 S -","- C48 H36 Cu4 N16 O8 S4 -","4","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0488","0.0356","","","0.0866","0.0955","","","","","","1.035","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226210","9.8386","0.0007","10.1356","0.0006","14.9963","0.001","90.004","0.005","90.051","0.006","113.105","0.007","1375.48","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C2N","","","- C30 H24 Cu N4 O2 P S -","- C30 H24 Cu N4 O2 P S -","- C60 H48 Cu2 N8 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.043","0.0373","","","0.102","0.1078","","","","","","1.045","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","187043","2020-10-21","18:00:00",""
"7226232","60.91","0.007","60.91","0.007","60.91","0.007","90","","90","","90","","225978","4","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","DUT-63","","- C78 H48 Cu3 N2 O15 -","- C78 H48 Cu3 N2 O15 -","- C1248 H768 Cu48 N32 O240 -","16","0.166667","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1126","0.054","","","0.1205","0.1394","","","","","","0.65","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226233","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-64","","- C52 H32 Cu2 N1.33 O10 -","- C52 H32 Cu2 N1.33333 O10 -","- C312 H192 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1268","0.0771","","","0.2502","0.2861","","","","","","0.827","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226234","35.4","0.004","35.4","0.004","35.4","0.004","90","","90","","90","","44362","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-124","","- C64 H48 Cu2 N1.33 O10 -","- C64 H48 Cu2 N1.33333 O10 -","- C384 H288 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1351","0.1101","","","0.3135","0.3458","","","","","","1.131","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226235","35.51","0.004","35.51","0.004","35.51","0.004","90","","90","","90","","44777","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-125","","- C68 H48 Cu3 N5.33 O10 -","- C64.24 H42.24 Cu3 N5.89333 O10 -","- C385.44 H253.44 Cu18 N35.36 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1009","0.0673","","","0.1999","0.2455","","","","","","1.06","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226236","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-128","","- C82 H64 Cu3 N7.33 O10 -","- C82 H64 Cu3 N7.33333 O10 -","- C492 H384 Cu18 N44 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1558","0.0998","","","0.2748","0.3243","","","","","","1.135","","","","has coordinates,has disorder","188099","2020-10-21","18:00:00",""
"7226237","6.4948","0.0013","8.222","0.0016","20.348","0.004","90","","90.842","0.002","90","","1086.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chlorobenzaldehyde 2-(2-pyridinyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0513","0.0382","","","0.0942","0.1026","","","","","","1.041","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226238","11.9741","0.0017","4.533","0.0007","20.337","0.003","90","","93.807","0.002","90","","1101.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-pyridinecarboxaldehyde 2-(4-chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0629","0.0386","","","0.0852","0.0952","","","","","","1.029","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226239","29.3899","0.0018","3.8643","0.0003","20.0344","0.0013","90","","108.118","0.005","90","","2162.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2pyridinecarboxaldehyde2(4chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C96 H80 Cl8 N24 -","8","2","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0862","0.0652","","","0.1341","0.1456","","","","","","1.101","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226240","16.787","0.004","3.9475","0.0009","17.596","0.004","90","","108.296","0.016","90","","1107.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde2(4bromophenyl)hydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C48 H40 Br4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0228","0.0222","","","0.0556","0.0567","","","","","","1.066","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226241","17.057","0.0007","3.867","0.0002","18.2283","0.0007","90","","115.093","0.002","90","","1088.85","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-pyrcarboxaldehyde-2-(4-CNphenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0995","0.0798","","","0.2227","0.2489","","","","","","1.077","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226242","13.1678","0.0011","4.2065","0.0004","20.2522","0.0018","90","","93.427","0.004","90","","1119.77","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde 2(4-cyanophenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0435","0.04","","","0.1193","0.125","","","","","","1.135","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226243","12.552","0.005","3.962","0.003","25.17","0.02","90","","102.71","0.03","90","","1221.1","1.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-CNbenzaldehyde 2-(5Br-2pyridinyl)hydrazone","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0489","0.0411","","","0.0882","0.0954","","","","","","1.128","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226244","6.7356","0.001","10.0422","0.0015","10.4886","0.0016","94.501","0.002","105.094","0.002","98.124","0.002","673.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Br-2-pyrcarboxaldehyde-4-CNphenylhydrazoneH2O","","- C13 H11 Br N4 O -","- C13 H11 Br N4 O -","- C26 H22 Br2 N8 O2 -","2","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0332","0.0267","","","0.0597","0.0621","","","","","","1.046","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226264","8.8698","0.0002","10.69","0.0003","17.5273","0.0005","90","","96.988","0.003","90","","1649.56","0.08","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Au2 Cl2 N4 O P2 -","- C31 H36 Au2 Cl2 N4 O P2 -","- C62 H72 Au4 Cl4 N8 O2 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.0342","0.0262","","","0.0472","0.0494","","","","","","1.053","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226265","24.029","0.004","16.9105","0.0016","12.0433","0.0018","90","","124.55","0.02","90","","4030.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C136 H168 Au8 Cl8 N16 O8 P8 -","4","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.049","0.0352","","","0.082","0.0879","","","","","","1.057","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226266","15.3277","0.0005","8.872","0.0002","14.8008","0.0006","90","","112.309","0.004","90","","1862.07","0.12","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 Au2 Cl2 N4 P2 -","- C28 H30 Au2 Cl2 N4 P2 -","- C56 H60 Au4 Cl4 N8 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","1.54184","CuKα","","0.0508","0.0444","","","0.1093","0.1137","","","","","","1.052","","","","has coordinates","188067","2020-10-21","18:00:00",""
"7226267","5.9472","0.0011","7.7189","0.0016","17.425","0.003","92.183","0.008","95.095","0.008","106.851","0.008","760.8","0.3","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","1","0.5","","Angeloski, Alexander; Hook, James M.; Bhadbhade, Mohan; Baker, Anthony T.; McDonagh, Andrew M.","Intramolecular H⋯S interactions in metal di-(isopropyl)dithiocarbamate complexes","CrystEngComm","2016","18","37","7070","","10.1039/C6CE01475E","","","0.71073","MoKα","","0.0451","0.0323","","","0.0655","0.0702","","","","","","1.036","","","","has coordinates","187048","2020-10-21","18:00:00",""
"7226268","10.2754","0.0003","16.2306","0.0004","8.8043","0.0003","90","","111.265","0.003","90","","1368.37","0.08","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","x-ray","0.71073","MoKα","","0.0462","0.0307","","","0.0654","0.0731","","","","","","1.067","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226269","10.5579","0.0005","16.3314","0.0006","8.8748","0.0004","90","","112.254","0.003","90","","1416.26","0.11","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Cr N10 Ni O6 -","- C16 H36 Cr N10 Ni O6 -","- C32 H72 Cr2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","","0.71073","MoKα","","0.0585","0.0367","","","0.0618","0.0679","","","","","","1.044","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226290","8.4368","0.001","8.4962","0.0002","11.8803","0.001","100.565","0.011","107.57","","105.95","","746.94","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F4 I2 N2 -","- C13 H6 F4 I2 N2 -","- C26 H12 F8 I4 N4 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0432","0.0265","","","0.0563","0.0592","","","","","","0.882","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226291","7.5682","0.0017","13.372","0.003","14.198","0.002","90","","105.457","0.001","90","","1384.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F4 I2 N2 -","- C11 H6 F4 I2 N2 -","- C44 H24 F16 I8 N8 -","4","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0708","0.053","","","0.1326","0.1387","","","","","","0.922","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226292","6.1553","0.0003","9.6907","0.0006","10.8382","0.0005","113.014","0.005","96.686","0.004","104.202","0.005","560.28","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0225","0.0199","","","0.0487","0.0492","","","","","","1.078","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226293","8.43","0.0007","5.6597","0.0004","31.14","0.002","90","","94.781","0.007","90","","1480.56","0.19","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F4 I2 N2 O2 -","- C32 H22 F4 I2 N2 O2 -","- C64 H44 F8 I4 N4 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0693","0.0333","","","0.0905","0.0956","","","","","","0.898","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226294","9.4529","0.0006","10.6844","0.0008","12.1719","0.0017","96.727","0.002","112.766","0.004","103.57","0.006","1071.87","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 I2 N4 O4 -","- C18 H12 F4 I2 N4 O4 -","- C36 H24 F8 I4 N8 O8 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.1048","0.0373","","","0.0795","0.141","","","","","","0.818","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226295","6.0259","0.0003","8.6495","0.0004","20.3527","0.0013","90","","93.507","0.005","90","","1058.82","0.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F4 I2 N4 O2 -","- C18 H16 F4 I2 N4 O2 -","- C36 H32 F8 I4 N8 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0489","0.0286","","","0.0666","0.0916","","","","","","0.995","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226296","11.2748","0.0002","6.6501","0.0001","14.17","0.0002","90","","108.596","0.001","90","","1006.98","0.03","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br2 Hg N2 Si2 -","- C14 H20 Br2 Hg N2 Si2 -","- C28 H40 Br4 Hg2 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0509","0.0468","","","0.1097","0.1113","","","","","","1.008","","","","has coordinates,has disorder","187045","2020-10-21","18:00:00",""
"7226297","12.8706","0.0007","8.2506","0.0005","13.8348","0.001","90","","113.876","0.005","90","","1343.4","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C28 H44 Br10 Cl2 Hg4 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.1226","0.0594","","","0.1345","0.1436","","","","","","0.693","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226298","9.5172","0.0004","13.6206","0.0004","16.3559","0.0005","90","","98.7","0.002","90","","2095.82","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Hg I2 N2 Si2 -","- C14 H20 Hg I2 N2 Si2 -","- C56 H80 Hg4 I8 N8 Si8 -","4","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0431","0.0423","","","0.1131","0.1141","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226299","8.3261","0.0002","22.1706","0.0004","8.2547","0.0002","90","","111.042","0.001","90","","1422.16","0.06","194","2","194","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C28 H44 Cl4 Hg4 I8 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0434","0.0372","","","0.0958","0.0988","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226308","14.7508","0.0009","16.1947","0.001","17.6138","0.0011","75.197","0.002","79.775","0.003","80.709","0.003","3973.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","A-2-4 HOOC-CVT, 2-H2N-4-Cl-5-Br-6-H3C-pyrimidine","","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.0979","0.0664","","","0.1843","0.2085","","","","","","1.069","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226309","29.225","0.003","11.4565","0.0011","23.889","0.002","90","","99.091","0.005","90","","7898","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","A-2-6 CVT-COOH, 4,4'-bipyridyl","","- C85 H102 N5 O19 -","- C85 H102 N5 O19 -","- C340 H408 N20 O76 -","4","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.1113","0.0807","","","0.2301","0.2602","","","","","","1.067","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226322","11.6009","0.0007","13.0363","0.0008","15.2941","0.0009","106.333","0.002","96.656","0.002","106.04","0.002","2085.7","0.2","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O2 Se -","- C22 H23 I N O2 Se -","- C88 H92 I4 N4 O8 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0733","0.0619","","","0.1524","0.1586","","","","","","1.038","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226323","11.8766","0.0003","12.7576","0.0004","15.3353","0.0004","105.477","0.001","97.106","0.001","105.185","0.001","2113.78","0.1","120","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O3 Se -","- C22 H23 I N O3 Se -","- C88 H92 I4 N4 O12 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0331","0.0258","","","0.0594","0.0609","","","","","","1.019","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226324","7.3704","0.0004","10.8423","0.0005","14.5069","0.0007","107.977","0.002","100.703","0.002","93.136","0.002","1075.69","0.09","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 I N O3.3 Se -","- C21 H24 I N O3.3 Se -","- C42 H48 I2 N2 O6.6 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0342","0.0234","","","0.0433","0.0461","","","","","","1.0319","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226325","15.211","0.0003","14.7644","0.0003","21.0641","0.0004","90","","108.775","0.001","90","","4478.89","0.16","120","","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I3 N O2 Se -","- C19 H20 I3 N O2 Se -","- C152 H160 I24 N8 O16 Se8 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0537","0.0283","","","0.0487","0.0543","","","","","","0.8934","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226326","7.5216","0.0004","29.2202","0.0016","11.113","0.0006","90","","93.721","0.005","90","","2437.3","0.2","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.087","0.052","","","0.0958","0.1078","","","","","","1.034","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226327","7.5964","0.0007","29.113","0.003","10.9942","0.0009","90","","96.454","0.004","90","","2416","0.4","120","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.1764","0.0557","","","0.0661","0.0813","","","","","","0.724","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226328","7.2675","0.0002","12.9365","0.0006","15.3429","0.0006","108.909","0.004","92.576","0.003","96.008","0.003","1352.36","0.1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0687","0.0535","","","0.1073","0.114","","","","","","1.097","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226329","7.2613","0.0003","12.9355","0.0007","15.3053","0.0009","109.055","0.005","92.175","0.004","96.618","0.004","1345.4","0.13","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0546","0.0416","","","0.0909","0.0961","","","","","","1.037","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226330","6.241","0.004","9.506","0.007","18.651","0.013","99.873","0.015","93.89","0.015","105.674","0.014","1042","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 F6 N2 O3 P -","- C17 H27 F6 N2 O3 P -","- C34 H54 F12 N4 O6 P2 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1085","0.0748","","","0.2235","0.2456","","","","","","1.086","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226331","5.3095","0.0018","7.917","0.003","23.201","0.008","84.701","0.007","83.488","0.007","80.058","0.008","951.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1806","0.0685","","","0.1474","0.2048","","","","","","0.971","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226332","4.6813","0.0003","8.4396","0.0005","23.3456","0.0015","80.193","0.002","88.216","0.002","80.574","0.002","896.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Br N2 O3 -","- C17 H27 Br N2 O3 -","- C34 H54 Br2 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.029","0.0248","","","0.0678","0.0844","","","","","","1.23","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226333","6.9325","0.0004","9.5052","0.0006","15.5569","0.001","100.851","0.003","90.364","0.002","104.223","0.002","974.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F4 N2 O3 -","- C17 H27 B F4 N2 O3 -","- C34 H54 B2 F8 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.0465","0.0398","","","0.1109","0.1233","","","","","","1.081","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226334","7.0445","0.0002","17.1474","0.0005","10.9776","0.0004","90","","107.251","0.004","90","","1266.39","0.07","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.","Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect","CrystEngComm","2016","18","39","7554","","10.1039/C6CE01391K","","","1.54178","CuKα","","0.0446","0.0393","","","0.0989","0.1034","","","","","","1.037","","","","has coordinates","188072","2020-10-21","18:00:00",""
"7226336","8.9957","0.0011","10.0831","0.0013","10.4133","0.0014","89.154","0.005","71.747","0.005","64.264","0.005","799.87","0.18","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.041","0.0312","","","0.0783","0.0842","","","","","","1.055","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226337","9.0188","0.0009","10.1722","0.001","10.4719","0.001","88.254","0.005","71.579","0.005","64.025","0.005","812.82","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0948","0.0445","","","0.0977","0.1201","","","","","","1.026","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226338","9.0278","0.0009","10.2654","0.001","10.6009","0.0011","75.203","0.005","70.936","0.005","64.122","0.005","828.05","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0287","0.021","","","0.0493","0.0517","","","","","","1.049","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226339","9.0497","0.0009","10.3158","0.001","10.669","0.0011","76.068","0.005","70.779","0.005","64.511","0.005","843.19","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0353","0.0239","","","0.0558","0.0603","","","","","","1.02","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226340","9.2387","0.0009","10.497","0.001","10.8284","0.0011","88.215","0.005","69.551","0.005","64.302","0.005","877.57","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0198","0.0175","","","0.0408","0.0421","","","","","","1.072","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7226341","9.2547","0.0009","10.6163","0.0011","10.8929","0.0011","74.976","0.005","69.459","0.005","64.157","0.005","894.76","0.16","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0288","0.0235","","","0.0509","0.054","","","","","","1.046","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226342","3.7762","0.0004","5.8688","0.0007","10.3157","0.0012","90.165","0.005","95.411","0.005","99.256","0.005","224.59","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0477","0.0366","","","0.0897","0.1012","","","","","","1.059","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226343","3.8373","0.0006","5.9282","0.0007","10.3247","0.0014","90.671","0.007","95.227","0.008","100.693","0.008","229.73","0.06","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0953","0.0582","","","0.1378","0.1709","","","","","","1.073","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226345","10.393","0.002","14.018","0.003","14.24","0.003","117.59","0.03","93.18","0.03","98.27","0.03","1801.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.065","0.0532","","","0.1332","0.1422","","","","","","1.055","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226346","20.7373","0.0016","17.9433","0.0014","10.9131","0.0008","90","","91.475","0.007","90","","4059.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40.25 H35.15 Br0.1 Cu2.1 N6.65 O14.45 -","- C38 H29.9 Br0.1 Cu2.1 N5.9 O13.7 -","- C152 H119.6 Br0.4 Cu8.4 N23.6 O54.8 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.71073","MoKα","","0.0788","0.0583","","","0.1579","0.1685","","","","","","1.074","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226347","11.014","0.002","13.053","0.003","14.145","0.003","63.88","0.03","79.87","0.03","89.57","0.03","1791.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H60.5 Mn3 N11.5 O26.5 -","- C68 H50 Mn3 N8 O19 -","- C68 H50 Mn3 N8 O19 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.1094","0.0788","","","0.2133","0.233","","","","","","1.06","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226348","20.889","0.004","18.004","0.004","10.913","0.002","90","","91.36","0.03","90","","4103.1","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C72.25 H50.25 Br1.2 Cu1.2 N10.55 O26.15 Zn4 -","- C70 H45 Br1.2 Cu1.2 N9.8 O25.4 Zn4 -","- C140 H90 Br2.4 Cu2.4 N19.6 O50.8 Zn8 -","2","0.25","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0771","0.076","","","0.2121","0.2127","","","","","","1.055","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226349","23.128","0.005","14.043","0.003","23.412","0.005","90","","95.37","0.03","90","","7571","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H69.5 Co3 N12.5 O28.5 -","- C68 H52 Co3 N10 O26 -","- C272 H208 Co12 N40 O104 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0483","0.0453","","","0.1181","0.1199","","","","","","1.048","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226357","14.84","0.002","17.911","0.003","31.01","0.005","79.663","0.011","86.268","0.011","82.469","0.012","8031","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H61.5 Na3 O24.25 -","- C72 H61.5 Na3 O24.25 -","- C288 H246 Na12 O97 -","4","2","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.3084","0.1435","","","0.3559","0.405","","","","","","0.878","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226361","28.597","0.002","27.378","0.002","19.9414","0.0015","90","","124.639","0.001","90","","12845.3","1.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C99.5 H112.5 N56 O41 -","- C100 H115 N56 O41 -","- C400 H460 N224 O164 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1041","0.0801","","","0.2379","0.2553","","","","","","1.111","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226362","24.382","0.002","23.126","0.002","27.053","0.003","90","","109.521","0.001","90","","14377","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 Br6 N40 O28 -","- C126 H142 Br6 N40 O28 -","- C504 H568 Br24 N160 O112 -","4","1","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1245","0.0779","","","0.2163","0.2408","","","","","","1.059","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226393","17.15","0.002","12.284","0.002","11.144","0.002","90","","127.549","0.013","90","","1861.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 O18 Sm2 -","- C9 H6 O18 Sm2 -","- C36 H24 O72 Sm8 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.043","0.0321","","","0.0797","0.0897","","","","","","1.16","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7226405","10.5847","0.0006","8.8751","0.0005","16.2063","0.0009","90","","106.21","0.006","90","","1461.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C60 H52 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0757","0.0531","","","0.085","0.0956","","","","","","1.017","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226406","22.884","0.003","8.3045","0.0006","15.2009","0.0012","90","","101.047","0.008","90","","2835.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C120 H104 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0432","0.036","","","0.1107","0.1222","","","","","","1.092","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226407","7.6645","0.0006","7.8706","0.0007","12.6909","0.0012","107.745","0.006","99.244","0.007","97.038","0.006","707.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0527","0.0363","","","0.1056","0.117","","","","","","1.061","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226408","7.6357","0.0005","8.2456","0.0008","11.8464","0.0006","97.352","0.006","104.485","0.005","96.981","0.007","707","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.05","0.0382","","","0.0648","0.0709","","","","","","1.077","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226409","12.4078","0.0012","15.0565","0.0012","15.0342","0.0011","90","","97.887","0.008","90","","2782.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C120 H88 N24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1438","0.0954","","","0.1797","0.1939","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226410","8.079","0.005","9.344","0.006","9.702","0.006","100.825","0.013","94.448","0.013","105.221","0.012","687.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C30 H26 N6 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0621","0.0394","","","0.0751","0.0793","","","","","","1.078","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226413","8.3706","0.0012","18.536","0.002","21.658","0.003","90","","99.199","0.01","90","","3317.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Cl N4 O S -","- C31 H49 Cl N4 O S -","- C124 H196 Cl4 N16 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1229","0.0609","","","0.133","0.1531","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226414","8.4037","0.0012","10.2399","0.0015","19.874","0.003","97.051","0.007","95.211","0.007","94.056","0.007","1684.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C62 H102 Cl2 N8 O4 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0738","0.0497","","","0.0946","0.1024","","","","","","1.055","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226415","11.5868","0.0016","15.626","0.002","19.065","0.002","90","","98.02","0.009","90","","3418.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C124 H204 Cl4 N16 O8 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1919","0.0902","","","0.1919","0.2324","","","","","","1.096","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226416","8.4428","0.0008","22.3348","0.0019","7.7119","0.0007","90","","106.99","0.006","90","","1390.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0718","0.0439","","","0.0725","0.0811","","","","","","1.071","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226417","16.1738","0.0012","16.3065","0.0012","17.2609","0.0012","111.457","0.0019","110.595","0.002","96.01","0.002","3821.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 La2 N6 O18 S6 -","- C60 H60 La2 N6 O18 S6 -","- C120 H120 La4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.101","0.0869","","","0.2309","0.2367","","","","","","1.064","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226418","16.1339","0.0006","16.3437","0.0006","17.2177","0.0006","111.101","0.001","110.695","0.001","96.1766","0.0012","3816.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Ce2 N6 O18 S6 -","- C60 H60 Ce2 N6 O18 S6 -","- C120 H120 Ce4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0737","0.0548","","","0.1619","0.1716","","","","","","1.148","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226419","16.123","0.0008","16.3385","0.0008","17.2058","0.0008","110.634","0.001","110.904","0.001","96.368","0.001","3814.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N6 O18 Pr2 S6 -","- C60 H60 N6 O18 Pr2 S6 -","- C120 H120 N12 O36 Pr4 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","mokα","","0.0572","0.05","","","0.1496","0.156","","","","","","0.965","","","","has coordinates,has disorder","189829","2020-10-21","18:00:00",""
"7226420","16.0585","0.0007","16.3646","0.0007","17.1438","0.0007","110.363","0.0007","111.01","0.0007","96.5967","0.0008","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","1","0.5","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.074","0.0502","","","0.1567","0.1777","","","","","","1.123","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226421","16.0536","0.0006","16.3481","0.0007","17.1341","0.0007","110.266","0.001","111.024","0.001","96.714","0.001","3785.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H73 Eu2 N7 O20 S7 -","- C65 H73 Eu2 N7 O20 S7 -","- C130 H146 Eu4 N14 O40 S14 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0732","0.0543","","","0.1574","0.1765","","","","","","1.046","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226422","16.0917","0.0006","16.3567","0.0006","17.1769","0.0006","110.724","0.001","110.848","0.001","96.387","0.001","3803.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 Nd2 O18 S5 -","- C59 H58 N6 Nd2 O18 S5 -","- C118 H116 N12 Nd4 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0616","0.0531","","","0.1658","0.173","","","","","","1.096","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226423","16.0579","0.0007","16.2365","0.0007","17.1282","0.0008","109.654","0.001","111.356","0.001","96.945","0.001","3763","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Gd2 N6 O18 S5 -","- C59 H58 Gd2 N6 O18 S5 -","- C118 H116 Gd4 N12 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0757","0.0545","","","0.1762","0.1931","","","","","","1.105","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226424","16.029","0.0007","16.2743","0.0007","17.1155","0.0007","109.868","0.001","111.261","0.001","96.858","0.001","3760.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 O18 S5 Tb2 -","- C59 H58 N6 O18 S5 Tb2 -","- C118 H116 N12 O36 S10 Tb4 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0796","0.0565","","","0.1771","0.1945","","","","","","1.211","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226450","8.7785","0.0004","9.7547","0.0004","10.2957","0.0005","93.527","0.002","101.291","0.002","102.406","0.002","839.43","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N10 O8 -","- C11 H16 N10 O8 -","- C22 H32 N20 O16 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0437","0.0373","","","0.1066","0.1137","","","","","","1.059","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226451","12.7602","0.0004","9.0277","0.0004","17.1544","0.0007","90","","95.503","0.003","90","","1967","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N5 O5 -","- C6 H11 N5 O5 -","- C48 H88 N40 O40 -","8","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0392","0.0342","","","0.0955","0.0996","","","","","","1.033","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226452","7.7868","0.0014","10.0032","0.0018","10.6058","0.0019","72.744","0.006","70.282","0.006","75.842","0.006","733","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H19.16 N8 O6.59 -","- C7 H16 N8 O6.5833 -","- C14 H32 N16 O13.1666 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0559","0.0431","","","0.1234","0.1322","","","","","","1.055","","","","has coordinates,has disorder","188074","2020-10-21","18:00:00",""
"7226453","3.9966","0.0002","12.0312","0.0006","15.5723","0.0009","71.941","0.002","89.275","0.002","84.754","0.002","708.81","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H18 N10 O5 -","- C7 H18 N10 O5 -","- C14 H36 N20 O10 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0532","0.0413","","","0.1095","0.1196","","","","","","0.99","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7226454","7.3538","0.0004","6.7","0.0004","24.9855","0.0015","90","","95.147","0.002","90","","1226.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[BIM+][SA-]","benzimidazolium salicylate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0477","0.0392","","","0.1006","0.1072","","","","","","1.06","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226455","6.9999","0.0014","16.7","0.003","11.685","0.002","90","","101.81","0.03","90","","1337","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ADE+][SA-]H2O","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0865","0.0589","","","0.1418","0.1574","","","","","","1.018","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226456","9.6386","0.0019","8.5322","0.0017","13.91","0.003","90","","109.93","0.03","90","","1075.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CYT+][SA-]","Cytosinium salicylate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C44 H44 N12 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0441","0.0369","","","0.0995","0.1053","","","","","","1.048","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226457","9.909","0.002","9.817","0.002","22.872","0.005","90","","102.12","0.03","90","","2175.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2[BIM+][SSA-2]H2O","Di-benzimidazolium sulfosalicylate monohydrate","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0478","0.039","","","0.1012","0.107","","","","","","1.053","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226458","6.7311","0.0013","10.314","0.002","10.743","0.002","85.32","0.03","85.11","0.03","86.41","0.03","739.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[ADE+][SSA-]H2O","Adeninium sulfosalicylate monohydrate","","- C12 H13 N5 O7 S -","- C12 H13 N5 O7 S -","- C24 H26 N10 O14 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0556","0.0423","","","0.1018","0.1098","","","","","","1.035","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226459","7.2974","0.0015","8.4044","0.0017","15.47","0.003","77.82","0.03","83.19","0.03","88.82","0.03","920.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[CYT+][SAA-][CYT]H2O","Cytosinium sulfosalicylate cytosine monohydrate","","- C15 H18 N6 O9 S -","- C15 H18 N6 O9 S -","- C30 H36 N12 O18 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0785","0.045","","","0.1088","0.1256","","","","","","1.007","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226460","6.9579","0.0014","9.6421","0.0019","14.749","0.003","101.51","0.03","101.98","0.03","98.62","0.03","929.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FCYT+][SAA-][FCYT]","Fluorocytosinium sulfosalicylate fluorocytosine","","- C15 H14 F2 N6 O8 S -","- C15 H14 F2 N6 O8 S -","- C30 H28 F4 N12 O16 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0552","0.0387","","","0.0952","0.1048","","","","","","1.037","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226461","16.1475","0.0014","12.516","0.0011","19.8687","0.0017","90","","93.321","0.001","90","","4008.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 O11 Zn2 -","- C23 H11 O11 Zn2 -","- C92 H44 O44 Zn8 -","4","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.0627","0.0444","","","0.1048","0.1097","","","","","","1.047","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226465","13.4384","0.0014","17.4194","0.0018","16.514","0.0017","90","","104.02","0.001","90","","3750.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag O4 P2 S -","- C42 H32 Ag O4 P2 S -","- C168 H128 Ag4 O16 P8 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0438","0.0352","","","0.0821","0.0866","","","","","","1.052","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226466","10.372","0.0012","5.6131","0.0006","30.25","0.003","90","","97.097","0.001","90","","1747.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 N4 O4 S -","- C16 H14 Ag2 N4 O4 S -","- C64 H56 Ag8 N16 O16 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0443","0.0403","","","0.0859","0.088","","","","","","1.028","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226468","10.852","0.0003","14.2506","0.0006","19.6911","0.0008","96.202","0.003","103.112","0.003","94.223","0.003","2933.2","0.2","300","1","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N3 O5 S -","- C25 H47 N3 O5 S -","- C100 H188 N12 O20 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.0789","0.0564","","","0.1675","0.1933","","","","","","1.031","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226470","19.1853","0.0005","16.9662","0.0004","19.0342","0.0005","90","","109.85","0.003","90","","5827.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N8 O13 S2 -","- C48 H90 N8 O13 S2 -","- C192 H360 N32 O52 S8 -","4","0.5","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.086","0.0794","","","0.2289","0.2406","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226471","19.4863","0.0008","16.95","0.0006","19.0704","0.0005","90","","110.145","0.004","90","","5913.5","0.4","100","1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 F3 N3 O4.5 S -","- C25 H45 F3 N3 O4.5 S -","- C200 H360 F24 N24 O36 S8 -","8","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.069","0.0602","","","0.1485","0.1558","","","","","","1.045","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226472","12.3465","0.0007","13.2148","0.0009","20.8662","0.001","78.866","0.005","76.851","0.004","82.631","0.005","3240.1","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 F3 N3 O4 S2.5 -","- C52 H96 F6 N6 O8 S5 -","- C104 H192 F12 N12 O16 S10 -","2","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0819","0.0543","","","0.1208","0.1386","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226473","13.3272","0.0004","20.7771","0.0006","22.3152","0.0006","90","","92.086","0.003","90","","6175","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 F6 N3 O4 S -","- C26 H43 F6 N3 O4 S -","- C208 H344 F48 N24 O32 S8 -","8","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.058","0.0446","","","0.1054","0.1148","","","","","","1.017","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226474","12.1225","0.0005","13.1483","0.0004","21.4144","0.0011","74.424","0.004","87.1","0.004","84.476","0.003","3271.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 F6 N3 O4 S2 -","- C26 H45 F6 N3 O4 S2 -","- C104 H180 F24 N12 O16 S8 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.1342","0.111","","","0.3006","0.3293","","","","","","1.055","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226476","9.1526","0.0003","12.9487","0.0005","13.3592","0.0006","93.444","0.004","97.949","0.003","92.527","0.003","1563.01","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 N3 O4 S -","- C14 H14 F3 N3 O4 S -","- C56 H56 F12 N12 O16 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1103","0.1113","","","","","","1.128","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226499","11.196","0.0007","13.4174","0.0009","16.1522","0.001","70.32","0.001","70.03","0.001","86.337","0.001","2143.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1","","","- C24 H32 N10 O34 Pr2 -","- C24 H36 N10 O34 Pr2 -","- C48 H72 N20 O68 Pr4 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0228","0.019","","","0.0469","0.05","","","","","","1.04","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226500","15.0627","0.001","16.6949","0.0011","18.0047","0.0012","115.295","0.001","101.985","0.001","90.845","0.001","3976.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2","","","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C110 H90 Cu14 I14 N26 O45 Pr6 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.024","0.0197","","","0.043","0.0444","","","","","","1.011","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226501","15.289","0.006","8.168","0.003","28.995","0.011","90","","100.646","0.005","90","","3559","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C42 H39 Cu8 I8 N9 O16.5 Pr2 -","- C44 H32 Cu8 I8 N10 O17 Pr2 -","- C88 H64 Cu16 I16 N20 O34 Pr4 -","2","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0435","0.0367","","","0.0931","0.0972","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226502","15.095","0.0004","25.0532","0.0008","29.7588","0.0008","90","","107.936","0.001","90","","10707.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-Pr","","","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C276 H280 Cu48 I48 N56 O92 Pr12 -","4","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0364","0.0318","","","0.0731","0.0752","","","","","","1.046","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226504","30.332","0.004","46.354","0.006","18.13","0.003","90","","116.729","0.002","90","","22767","6","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","6","","","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C234.4 H160 Cu48 I48 K4 N40 O121.6 Pr12 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.223","0.1302","","","0.3437","0.4407","","","","","","1.08","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226506","5.0952","0.001","13.021","0.003","6.8264","0.0014","90","","105.26","0.03","90","","436.93","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Hg N5 -","- C H2 Hg N5 -","- C4 H8 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0618","0.0594","","","0.1491","0.1528","","","","","","1.087","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226507","8.1233","0.0013","6.9274","0.0011","8.7456","0.0014","90","","93.122","0.002","90","","491.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C4 H8 Cl4 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0259","0.0249","","","0.065","0.0658","","","","","","1.055","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226528","18.7531","0.0008","25.0061","0.0011","10.5276","0.0005","90","","91.259","0.001","90","","4935.6","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31.5 N0.5 O6 -","- C28 H31.5 N0.5 O6 -","- C224 H252 N4 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0925","0.0476","","","0.1117","0.1322","","","","","","1.023","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226529","18.606","0.002","24.551","0.003","10.4027","0.0013","90","","90.819","0.003","90","","4751.4","1","153","2","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C216 H240 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0696","0.0444","","","0.1005","0.1122","","","","","","1.027","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226538","14.095","0.0005","15.667","0.0005","21.182","0.0008","86.503","0.003","76.211","0.003","69.422","0.003","4251.6","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","compound 1","","- C95 H74 B2 Cl6 Fe N16 -","- C95 H70 B2 Cl6 Fe N16 -","- C190 H140 B4 Cl12 Fe2 N32 -","2","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71069","MoKα","","0.1551","0.0909","","","0.2557","0.3255","","","","","","1.022","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226539","12.328","0.0006","20.697","0.0008","17.7258","0.001","90","","117.72","0.004","90","","4003.7","0.4","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C32 H23 Br2 F6 Fe N12 O8.5 S2 -","- C32 H18 Br2 F6 Fe N12 O8.5 S2 -","- C128 H72 Br8 F24 Fe4 N48 O34 S8 -","4","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71073","MoKα","","0.1649","0.0885","","","0.2422","0.3225","","","","","","0.952","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7226550","7.6484","0.0005","16.6146","0.0011","11.9576","0.0007","90","","108.111","0.001","90","","1444.23","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C60 H44 N12 O24 -","4","1","","Mekala, R.; Mani, Rajaboopathi; Rietveld, Ivo B.; Jagdish, P.; Mathammal, R.; Jiang, Huaidong","Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate","CrystEngComm","2016","18","42","8194","","10.1039/C6CE01712F","","","0.71073","MoKα","","0.047","0.0358","","","0.0846","0.0953","","","","","","1.049","","","","has coordinates","188100","2020-10-21","18:00:00",""
"7226551","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","188086","2020-10-21","18:00:00",""
"7226560","14.19","0.003","8.068","0.0016","22.427","0.005","90","","100.06","0.03","90","","2528.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ebp-terpyridine","ebptpy","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0658","0.0487","","","0.1508","0.1608","","","","","","1.127","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226561","22.883","0.005","8.352","0.0017","14.445","0.003","90","","106.61","0.03","90","","2645.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etp-terpyridine","etptpy","","- C36 H27 N3 O2 -","- C36 H27 N3 O2 -","- C144 H108 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0563","0.0499","","","0.1422","0.148","","","","","","1.063","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226562","6.527","0.0013","7.903","0.0016","18.016","0.004","95.78","0.03","95.32","0.03","94.15","0.03","917.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pfpatpy","pfpatpy","","- C23 H10 F5 N3 -","- C23 H10 F5 N3 -","- C46 H20 F10 N6 -","2","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.63","Synchrotron","","0.0766","0.0662","","","0.183","0.1991","","","","","","1.046","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226563","5.714","0.0011","16.831","0.003","17.555","0.004","90","","92.54","0.03","90","","1686.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bzo-terpyridine","bzotpy","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0514","0.0443","","","0.1262","0.1307","","","","","","1.077","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226564","13.742","0.006","10.981","0.005","23.785","0.01","90","","103.153","0.006","90","","3495","3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C132 H72 Eu4 N12 O30 -","2","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.0605","0.0436","","","0.0908","0.0968","","","","","","1.022","","","","has coordinates","188109","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226571","10.229","0.003","10.526","0.004","12.346","0.004","66.68","0.01","78.973","0.011","67.688","0.01","1128","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0797","0.0495","","","0.1091","0.1227","","","","","","1.03","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226572","9.8216","0.0003","11.6073","0.0004","12.2477","0.0004","105.726","0.002","111.775","0.001","105.364","0.002","1139","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F4 N4 O -","- C26 H22 F4 N4 O -","- C52 H44 F8 N8 O2 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0412","0.037","","","0.0917","0.0942","","","","","","1.037","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226585","10.464","0.0004","12.0162","0.0005","13.1846","0.0005","83.78","0.003","86.014","0.003","75.659","0.004","1595.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Eu N4 O12 -","- C28 H35 Eu N4 O12 -","- C56 H70 Eu2 N8 O24 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","0.71073","MoKα","","0.035","0.0305","","","0.0672","0.0697","","","","","","1.036","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226586","10.4702","0.0004","12.0131","0.0005","13.1765","0.0006","83.827","0.004","85.92","0.004","75.686","0.004","1594.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N2 O10 -","- C22 H20 Eu N2 O10 -","- C44 H40 Eu2 N4 O20 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","1.54184","CuKα","","0.0292","0.0278","","","0.0725","0.0731","","","","","","1.044","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226588","23.01","0.002","9.6665","0.0007","11.1481","0.0012","90","","107.617","0.008","90","","2363.3","0.4","180.15","","180.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.25","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0245","0.0232","","","0.0559","0.0564","","","","","","1.124","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226589","12.1436","0.0014","8.7824","0.0006","9.4776","0.0011","90","","99.676","0.009","90","","996.41","0.18","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 I4 N2 Pb -","- C10 H10 Br2 I4 N2 Pb -","- C20 H20 Br4 I8 N4 Pb2 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0782","0.0683","","","0.1872","0.2024","","","","","","1.051","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226590","12.0812","0.0011","22.6","0.002","8.8122","0.0008","90","","102.175","0.007","90","","2351.9","0.4","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.136","0.08","","","0.1879","0.214","","","","","","0.978","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226591","11.0224","0.0007","14.7278","0.0007","8.0001","0.0005","90","","100.14","0.005","90","","1278.42","0.13","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C20 H20 Cl4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0309","0.0277","","","0.07","0.0717","","","","","","1.07","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226596","9.1279","0.0006","8.0558","0.0004","15.7073","0.0011","90","","103.014","0.006","90","","1125.33","0.12","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0435","0.0383","","","0.0927","0.0948","","","","","","0.994","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226600","9.2804","0.0007","8.029","0.0004","15.4764","0.0012","90","","103.89","0.006","90","","1119.46","0.14","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C24 H32 Br12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0397","0.024","","","0.0441","0.0466","","","","","","0.877","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226608","22.268","","8.67","","7.99","","90","","95.1","","90","","1536.47","","120","","120","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Acetone","Acetone","- C3 O -","- C3 O -","- C48 O16 -","16","4","","Ferrer, P.; da Silva, I.; Puente-Orench, I.","Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction","CrystEngComm","2016","18","42","8220","","10.1039/C6CE01333C","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188107","2020-10-21","18:00:00",""
"7226609","21.8891","0.0018","9.107","0.0008","32.038","0.003","90","","124.121","0.002","90","","5287.2","0.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 N2 O8 Tb -","- C42 H26 N2 O8 Tb -","- C168 H104 N8 O32 Tb4 -","4","1","","Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin","Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers","CrystEngComm","2016","18","44","8574","","10.1039/C6CE01705C","","","0.71073","MoKα","","0.1024","0.0548","","","0.0992","0.1051","","","","","","1.01","","","","has coordinates,has disorder","190090","2020-10-21","18:00:00",""
"7226626","18.4148","0.0009","29.5574","0.0015","16.3155","0.0008","90","","119.269","0.001","90","","7746.7","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 N2 Na6 O51 -","- C104 H66 Cd6 N2 Na6 O51 -","- C208 H132 Cd12 N4 Na12 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0552","0.0406","","","0.1128","0.1234","","","","","","1.025","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226627","18.9895","0.0013","28.481","0.002","16.9587","0.0018","90","","119.896","0.002","90","","7951.4","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H48 Cd6 K2 Na4 O51 -","- C96 H48 Cd6 K2 Na4 O51 -","- C192 H96 Cd12 K4 Na8 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1456","0.1707","","","","","","1.048","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226628","19.2145","0.0017","26.4088","0.0017","17.7174","0.0012","90","","118.431","0.002","90","","7906.1","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H49 Cd3 K3 N4 O29 -","- C63 H49 Cd3 K3 N4 O29 -","- C252 H196 Cd12 K12 N16 O116 -","4","0.5","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0979","0.0697","","","0.1629","0.1934","","","","","","1.072","","","","has coordinates,has disorder","188102","2020-10-21","18:00:00",""
"7226629","18.5166","0.0007","29.4652","0.0008","16.385","0.0004","90","","119.388","0.003","90","","7789.2","0.5","294.39","","294.39","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 Mg6 N2 O57 -","- C104 H66 Cd6 Mg6 N2 O57 -","- C208 H132 Cd12 Mg12 N4 O114 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","1.54178","CuKα","","0.0836","0.0624","","","0.1628","0.1829","","","","","","1.031","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226631","20.8809","0.001","10.6287","0.0004","16.6021","0.0007","90","","115.3","0.005","90","","3331.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 O5 -","- C14 H18 Cd N4 O5 -","- C112 H144 Cd8 N32 O40 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0375","0.0289","","","0.0626","0.0675","","","","","","1.006","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226632","7.5703","0.0005","7.9467","0.0005","10.1633","0.0007","76.859","0.006","81.936","0.006","68.543","0.006","553.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 Cd N3 O6 -","- C7 H11 Cd N3 O6 -","- C14 H22 Cd2 N6 O12 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0256","0.0228","","","0.0546","0.0561","","","","","","1.064","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226633","9.3607","0.0004","8.3293","0.0004","15.9905","0.001","90","","113.611","0.004","90","","1142.38","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H13 Cd N2 O4 -","- C10 H13 Cd N2 O4 -","- C40 H52 Cd4 N8 O16 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0453","0.0316","","","0.0796","0.0931","","","","","","1.042","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226634","5.1689","0.0004","8.3362","0.0007","9.9402","0.0008","102.695","0.007","95.013","0.007","93.047","0.007","415.09","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","1","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0305","0.03","","","0.0697","0.0702","","","","","","1.059","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226636","8.8482","0.0005","10.5491","0.0005","12.8133","0.0006","86.422","0.004","73.769","0.004","83.139","0.004","1139.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd2 N6 O8 -","- C19 H21 Cd2 N6 O8 -","- C38 H42 Cd4 N12 O16 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0349","0.0271","","","0.0566","0.0615","","","","","","1.015","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226637","28.3889","0.0016","7.3715","0.0005","9.0819","0.0005","90","","92.276","0.005","90","","1899.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Cd N2 O4 -","- C8 H9 Cd N2 O4 -","- C64 H72 Cd8 N16 O32 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0255","0.0232","","","0.0603","0.0622","","","","","","1.025","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226638","8.3519","0.0003","10.8757","0.0008","18.006","0.001","106.753","0.006","91.98","0.004","94.345","0.004","1558.89","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 Cd N6 O9 -","- C24 H45 Cd N6 O9 -","- C48 H90 Cd2 N12 O18 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0867","0.0663","","","0.1677","0.1858","","","","","","1.054","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226639","12.403","0.004","19.548","0.007","18.963","0.007","90","","103.787","0.006","90","","4465","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Dy4 N10 O34 -","- C74 H84 Co2 Dy4 N10 O34 -","- C148 H168 Co4 Dy8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0562","0.0324","","","0.0763","0.085","","","","","","1.018","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226640","12.4424","0.0019","19.73","0.003","19.024","0.003","90","","104.094","0.002","90","","4529.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Eu4 N10 O34 -","- C74 H84 Co2 Eu4 N10 O34 -","- C148 H168 Co4 Eu8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0702","0.0385","","","0.0918","0.1059","","","","","","1.049","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226641","12.443","0.003","19.742","0.004","19.009","0.004","90","","104.077","0.003","90","","4529.3","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Gd4 N10 O34 -","- C74 H84 Co2 Gd4 N10 O34 -","- C148 H168 Co4 Gd8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.069","0.046","","","0.1184","0.132","","","","","","0.995","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226642","12.371","0.002","19.544","0.003","18.941","0.003","90","","103.988","0.003","90","","4443.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 N10 O34 Tb4 -","- C74 H84 Co2 N10 O34 Tb4 -","- C148 H168 Co4 N20 O68 Tb8 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0923","0.047","","","0.0907","0.1059","","","","","","1.019","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226643","11.717","0.006","17.333","0.009","8.824","0.005","90","","106.29","0.006","90","","1720.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O6 -","- C34 H36 N8 O6 -","- C68 H72 N16 O12 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.2952","Synchrotron","","0.0809","0.0678","","","0.2034","0.2189","","","","","","1.113","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226644","13.022","0.002","17.377","0.003","8.6788","0.0015","90","","102.255","0.004","90","","1919.1","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N6 O10 S2 -","- C34 H42 N6 O10 S2 -","- C68 H84 N12 O20 S4 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1987","0.1145","","","0.2724","0.363","","","","","","1.003","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226645","29.138","0.011","8.033","0.002","21.635","0.008","90","","118.774","0.007","90","","4439","3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C168 H192 N32 O40 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2229","0.089","","","0.1798","0.2361","","","","","","0.977","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226646","29.227","0.011","7.997","0.003","21.68","0.008","90","","119.615","0.007","90","","4405","3","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 N8 O11 -","- C41 H45 N8 O11 -","- C164 H180 N32 O44 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1474","0.0967","","","0.238","0.2725","","","","","","1.063","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226647","29.25","0.012","7.997","0.003","21.648","0.009","90","","120.242","0.009","90","","4375","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N8 O12 -","- C40 H40 N8 O12 -","- C160 H160 N32 O48 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2658","0.1178","","","0.2771","0.3762","","","","","","0.988","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226648","29.177","0.01","7.999","0.002","21.586","0.007","90","","119.075","0.007","90","","4403","2","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.56 H48 N8 O10.44 -","- C41.564 H46.692 N8 O10.436 -","- C166.256 H186.768 N32 O41.744 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2146","0.1105","","","0.2591","0.3272","","","","","","1.083","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226649","19.3577","0.0013","19.3577","0.0013","11.0242","0.0015","90","","90","","90","","4131","0.7","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H20 Cu8 I4 N4 O20 -","- C28 H12 Cu8 I4 N4 O20 -","- C56 H24 Cu16 I8 N8 O40 -","2","0.125","","Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua","Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits","CrystEngComm","2016","18","43","8362","","10.1039/C6CE01954D","","","0.71073","MoKα","","0.0791","0.07","","","0.1972","0.2075","","","","","","1.012","","","","has coordinates","188087","2020-10-21","18:00:00",""
"7226658","12.572","0.003","16.149","0.004","19.077","0.005","90","","100.52","0.005","90","","3808","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 O6.5 Pb S2 -","- C35 H31 N7 O6.5 Pb S2 -","- C140 H124 N28 O26 Pb4 S8 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.1513","0.0551","","","0.1082","0.1477","","","","","","1.022","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226659","14.5188","0.0004","7.6162","0.0002","27.7076","0.0007","90","","102.505","0.002","90","","2991.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N7 O7 S2 Sn -","- C25 H29 N7 O7 S2 Sn -","- C100 H116 N28 O28 S8 Sn4 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0603","0.0415","","","0.0735","0.078","","","","","","1.102","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","188106","2020-10-21","18:00:00",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226673","10.1347","0.0004","10.8799","0.0005","12.0819","0.0005","90","","101.789","0.002","90","","1304.1","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C60 H56 N4 O20 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0899","0.0527","","","0.1347","0.1603","","","","","","0.804","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226674","11.6691","0.0009","6.8681","0.0005","14.3968","0.0009","90","","95.62","0.005","90","","1148.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1009","0.0524","","","0.1293","0.1665","","","","","","0.79","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226676","9.4702","0.0002","15.5487","0.0003","18.2269","0.0004","90","","102.059","0.0013","90","","2624.67","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O6 -","- C58 H80 N2 O6 -","- C116 H160 N4 O12 -","2","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0569","0.0435","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226678","10.5317","0.0011","8.5508","0.0008","21.75","0.002","90","","91.055","0.007","90","","1958.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O4 S2 -","- C19 H17 N5 O4 S2 -","- C76 H68 N20 O16 S8 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1539","0.0548","","","0.1443","0.1908","","","","","","0.75","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226679","12.3648","0.0003","7.733","0.0002","19.4502","0.0004","90","","114.44","0.001","90","","1693.13","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0469","0.0409","","","0.1013","0.1069","","","","","","1.046","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226684","51.107","0.013","9.448","0.003","18.492","0.005","90","","102.189","0.007","90","","8728","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","UBMOF-3","","- C101 H61.01 N7 O27 Zn6 -","- C101 H61 N7 O27 Zn6 -","- C202 H122 N14 O54 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1527","0.1054","","","0.2852","0.3082","","","","","","1.039","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226685","39.751","0.004","9.7399","0.0011","18.388","0.002","90","","91.374","0.004","90","","7117.2","1.3","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H48 N4 O24 S4 Zn6 -","- C112 H48 N4 O24 S4 Zn6 -","- C224 H96 N8 O48 S8 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1081","0.079","","","0.2163","0.2305","","","","","","1.087","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226686","10.3907","0.0002","11.7359","0.0003","14.0932","0.0003","68.809","0.005","86.046","0.006","86.623","0.006","1597.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0401","0.0347","","","0.0875","0.092","","","","","","1.091","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226695","15.63","0.0011","12.6171","0.0007","5.4481","0.0004","90","","92.926","0.007","90","","1072.99","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 Ca O5 -","- C8 H4 Br2 Ca O5 -","- C32 H16 Br8 Ca4 O20 -","4","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0446","0.0365","","","0.0819","0.0896","","","","","","1.096","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226696","11.0693","0.0005","12.9647","0.0003","13.6267","0.0004","90","","90","","90","","1955.57","0.11","293","2","293","2","","","","","","","","6","P n n n","-P 2ab 2bc","48","","","","- C40 H30 Br4 Ca N4 O8 -","- C40 H30 Br4 Ca N4 O8 -","- C80 H60 Br8 Ca2 N8 O16 -","2","","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0476","0.0347","","","0.0796","0.0864","","","","","","1.035","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226697","10.0545","0.0006","11.5943","0.0006","12.401","0.0007","74.417","0.005","84.716","0.005","83.3","0.005","1380.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","1","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0464","0.0342","","","0.0732","0.0791","","","","","","1.044","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226698","7.7834","0.0004","10.1301","0.0005","10.3277","0.0008","103.873","0.005","91.797","0.005","90.935","0.004","789.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 Ca N O6 -","- C13 H10 Br2 Ca N O6 -","- C26 H20 Br4 Ca2 N2 O12 -","2","1","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0479","0.0354","","","0.0679","0.0736","","","","","","1.043","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226714","14.5618","0.0003","16.5325","0.0004","31.0145","0.0007","90","","100.296","0.0009","90","","7346.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 F6 O4 S2 -","- C41 H34 F6 O4 S2 -","- C328 H272 F48 O32 S16 -","8","2","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.049","0.0464","","","0.1175","0.1197","","","","","","1.067","","","","has coordinates,has disorder","186974","2020-10-21","18:00:00",""
"7226715","15.0294","0.0002","15.1977","0.0002","10.6992","0.0001","90","","107.778","0.0005","90","","2327.13","0.05","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F6 O4 S2 -","- C25 H18 F6 O4 S2 -","- C100 H72 F24 O16 S8 -","4","0.5","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.0372","0.0371","","","0.0964","0.0965","","","","","","1.035","","","","has coordinates","186974","2020-10-21","18:00:00",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226729","12.7393","0.0003","15.3611","0.0003","17.4026","0.0004","64.301","0.001","82.054","0.001","80.592","0.001","3018.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 O8 S8 -","- C56 H72 O8 S8 -","- C112 H144 O16 S16 -","2","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1074","0.0573","","","0.13","0.1552","","","","","","1.03","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226730","15.1566","0.0009","13.6474","0.0007","28.4065","0.0019","90","","92.503","0.002","90","","5870.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 Cl3 O12 S4 -","- C57 H73 Cl3 O12 S4 -","- C228 H292 Cl12 O48 S16 -","4","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1787","0.0943","","","0.2132","0.2653","","","","","","1.043","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226731","12.2472","0.0003","15.6106","0.0004","20.633","0.0006","92.39","0.002","96.895","0.001","96.801","0.001","3882.4","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H150 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","1","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0854","0.0616","","","0.1956","0.2153","","","","","","1.105","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226732","41.2998","0.0017","16.5977","0.0007","29.4977","0.0011","90","","125.525","0.001","90","","16456.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H196 N16 O21 S16 -","- C138 H196 N16 O21 S16 -","- C552 H784 N64 O84 S64 -","4","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2029","0.1084","","","0.2986","0.3609","","","","","","1.045","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226734","11.0804","0.0005","22.8508","0.001","19.1244","0.0006","90","","105.727","0.001","90","","4660.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H112 N8 O10 S8 -","- C92 H104 N8 O10 S8 -","- C184 H208 N16 O20 S16 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2288","0.1264","","","0.2812","0.3383","","","","","","1.019","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226738","5.6838","0.0009","11.4266","0.0019","13.585","0.002","90","","95.904","0.004","90","","877.6","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 O16 S2 -","- C6 H20 Cu3 O16 S2 -","- C12 H40 Cu6 O32 S4 -","2","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0667","0.0574","","","0.1457","0.1598","","","","","","1.188","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226739","5.608","0.0004","8.6585","0.0007","17.5909","0.0019","88.075","0.005","89.276","0.005","77.558","0.005","833.62","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0351","0.0315","","","0.0784","0.0811","","","","","","1.044","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226740","5.7415","0.0004","8.794","0.0006","27.737","0.002","83.89","0.004","89.704","0.005","80.177","0.004","1371.97","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 O16 S2 -","- C18 H30 Cu3 O16 S2 -","- C36 H60 Cu6 O32 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0498","0.0367","","","0.089","0.0936","","","","","","0.912","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226741","5.766","0.002","8.639","0.004","15.848","0.007","101.4","0.007","99.046","0.009","100.39","0.011","745.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0466","0.0402","","","0.1254","0.1434","","","","","","1.145","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226742","17.2932","0.0013","5.7712","0.0002","31.2089","0.0019","90","","93.088","0.004","90","","3110.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu3 O17 S2 -","- C24 H30 Cu3 O17 S2 -","- C96 H120 Cu12 O68 S8 -","4","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0756","0.0489","","","0.1018","0.1166","","","","","","1.052","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226743","5.6096","0.0002","8.9824","0.0006","12.1172","0.0009","86.288","0.006","77.183","0.006","77.676","0.006","581.53","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0333","0.0298","","","0.0752","0.0774","","","","","","1.101","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226744","9.2709","0.0007","10.6339","0.0017","11.848","0.002","82.673","0.016","70.523","0.014","69.251","0.012","1029.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu3 O14 S2 -","- C14 H18 Cu3 O14 S2 -","- C28 H36 Cu6 O28 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0388","0.031","","","0.0782","0.0864","","","","","","0.983","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226745","14.2783","0.0002","9.93551","0.00015","14.7043","0.0003","90","","99.5877","0.0017","90","","2056.85","0.06","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP/B18C6 cocrystal","","- C16 H28 Cl N O10 -","- C16 H28 Cl N O10 -","- C64 H112 Cl4 N4 O40 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0774","0.0706","","","0.2059","0.2167","","","","","","1.055","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226746","12.6348","0.0002","12.918","0.0002","20.7752","0.0003","90","","107.36","0.0017","90","","3236.39","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AP/DB18C6 cocrystal","","- C30 H40 Cl N O13 -","- C30 H40 Cl N O13 -","- C120 H160 Cl4 N4 O52 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0894","0.0823","","","0.248","0.26","","","","","","1.049","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226747","21.9447","0.0009","8.6823","0.0003","22.5551","0.0011","90","","118.257","0.006","90","","3785.3","0.3","176.41","0.1","176.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AP/18C6","cocrystal","","- C12 H28 Cl N O10 -","- C12 H28 Cl N O10 -","- C96 H224 Cl8 N8 O80 -","8","2","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0672","0.0585","","","0.1616","0.1727","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","190083","2020-10-21","18:00:00",""
"7226761","10.2321","0.0004","11.9576","0.0005","12.27","0.0005","91.001","0.001","99.561","0.001","100.188","0.001","1455.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0557","0.0405","","","0.0942","0.1017","","","","","","1.038","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226762","8.6636","0.0004","11.9452","0.0006","14.3305","0.0007","100.527","0.002","90.917","0.002","95.64","0.002","1450.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0883","0.0628","","","0.139","0.1495","","","","","","1.106","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226763","7.6956","0.0002","12.3234","0.0004","15.6647","0.0005","82.079","0.001","86.38","0.001","84.459","0.001","1462.66","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0609","0.0457","","","0.1047","0.1122","","","","","","1.053","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226766","10.7602","0.0007","10.3933","0.0006","21.0922","0.0011","90","","113.25","0.003","90","","2167.3","0.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H12.5 Eu N2.5 O13.5 Zn -","- C18 H11.5 Eu N2.5 O13.5 Zn -","- C72 H46 Eu4 N10 O54 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0236","0.0207","","","0.0499","0.0515","","","","","","1.006","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226767","12.4323","0.0017","12.9418","0.0018","15.241","0.002","90","","95.588","0.002","90","","2440.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0305","0.0272","","","0.0663","0.068","","","","","","1.071","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226768","12.4296","0.0012","12.9364","0.0012","15.1888","0.0014","90","","95.66","0.001","90","","2430.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H12 N3 O15 Tb Zn -","- C88 H48 N12 O60 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.026","0.0228","","","0.0555","0.0571","","","","","","1.084","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226769","16.8984","0.0011","24.3162","0.0016","22.832","0.0015","90","","99.333","0.001","90","","9257.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C256 H124 Eu8 N36 O152 Zn16 -","8","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0536","0.0413","","","0.1279","0.1376","","","","","","1.027","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226770","10.4803","0.0011","17.8855","0.0019","17.8364","0.0018","90","","105.744","0.001","90","","3217.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0509","0.0366","","","0.1112","0.1195","","","","","","1.061","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226771","11.589","0.003","17.792","0.005","16.441","0.005","90","","109.73","0.004","90","","3191","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H10 N3 O16 Tb Zn -","- C88 H40 N12 O64 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.1304","0.081","","","0.2199","0.27","","","","","","1.065","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226837","3.8271","0.0003","19.192","0.002","10.816","0.002","90","","91.771","0.011","90","","794.05","0.18","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1198","0.0502","","","0.099","0.1181","","","","","","1.006","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226838","3.84","0.002","19.183","0.016","10.87","0.018","90","","91.94","0.08","90","","800.3","1.5","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2555","0.1334","","","0.3255","0.3985","","","","","","1.144","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226839","3.7896","0.0004","19.207","0.002","10.703","0.003","90","","91.51","0.011","90","","778.8","0.2","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1633","0.0908","","","0.2382","0.2958","","","","","","1.043","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226840","3.7768","0.0005","19.151","0.003","10.824","0.004","90","","91.839","0.017","90","","782.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2136","0.1106","","","0.3012","0.3677","","","","","","1.115","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226841","3.7692","0.0006","19.123","0.003","10.849","0.004","90","","91.978","0.018","90","","781.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C8.991 H5.994 F1.998 O1.998 -","- C35.964 H23.976 F7.992 O7.992 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2793","0.1424","","","0.3454","0.4247","","","","","","1.226","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226842","3.7692","0.0008","19.124","0.004","10.887","0.006","90","","91.98","0.03","90","","784.3","0.5","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2691","0.1352","","","0.3264","0.4037","","","","","","1.157","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226843","3.6777","0.0015","19.13","0.01","10.443","0.011","90","","90.52","0.05","90","","734.7","0.9","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.0835","0.0474","","","0.0995","0.1141","","","","","","1.023","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226844","3.6652","0.0005","19.07","0.003","10.517","0.003","90","","90.798","0.016","90","","735","0.3","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1287","0.0686","","","0.1758","0.2297","","","","","","1.062","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226845","3.6528","0.0011","19.053","0.006","10.581","0.006","90","","90.9","0.03","90","","736.3","0.5","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1622","0.0785","","","0.2033","0.2632","","","","","","1.049","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226846","3.642","0.0007","19.023","0.004","10.626","0.005","90","","91.14","0.02","90","","736","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1778","0.097","","","0.2552","0.3109","","","","","","1.056","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226847","3.639","0.0007","19.002","0.004","10.645","0.005","90","","91.14","0.02","90","","735.9","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2146","0.1094","","","0.2902","0.3538","","","","","","1.072","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226848","3.6358","0.0017","18.973","0.011","10.701","0.013","90","","91.72","0.06","90","","737.8","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2524","0.1204","","","0.306","0.3922","","","","","","1.085","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226849","3.6223","0.0014","18.978","0.009","10.755","0.014","90","","91.34","0.06","90","","739.1","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2846","0.1191","","","0.2824","0.392","","","","","","1.029","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226862","9.2294","0.0003","11.4544","0.0003","18.2305","0.0006","80.471","0.003","77.234","0.003","87.169","0.003","1853.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0371","0.0349","","","0.0904","0.0927","","","","","","0.94","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226863","9.3269","0.0006","11.5055","0.0009","18.7159","0.0012","79.29","0.006","77.048","0.006","86.951","0.006","1923.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Hg N4 O -","- C18 H14 Br2 Hg N4 O -","- C72 H56 Br8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0739","0.0705","","","0.1801","0.1871","","","","","","1.053","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226864","19.9763","0.0002","11.8392","0.0001","17.7194","0.0002","90","","103.328","0.001","90","","4077.83","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Hg I2 N4 O -","- C18 H14 Hg I2 N4 O -","- C144 H112 Hg8 I16 N32 O8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0322","0.029","","","0.0708","0.0728","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226865","7.3839","0.0007","12.574","0.0011","15.6783","0.0013","90","","91.892","0.005","90","","1454.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 O -","- C12 H10 Br2 Hg N4 O -","- C48 H40 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.04","0.03","","","0.0575","0.06","","","","","","1.039","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226866","8.8275","0.0002","9.8653","0.0002","10.7261","0.0003","92.093","0.002","91.266","0.002","114.712","0.001","847.26","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br2 Hg N4 O2 -","- C13 H14 Br2 Hg N4 O2 -","- C26 H28 Br4 Hg2 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71069","MoKα","","0.0679","0.0398","","","0.0963","0.1246","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226867","7.9297","0.0016","13.566","0.003","14.212","0.003","90","","90.29","0.03","90","","1528.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Hg N4 O -","- C13 H12 Cl2 Hg N4 O -","- C52 H48 Cl8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0478","0.0266","","","0.054","0.0591","","","","","","1.03","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226868","8.1943","0.0002","13.4627","0.0002","14.4493","0.0003","90","","90.865","0.002","90","","1593.83","0.06","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Hg N4 O -","- C13 H12 Br2 Hg N4 O -","- C52 H48 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0586","0.0368","","","0.0638","0.0728","","","","","","1.036","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226869","10.6087","0.0004","14.778","0.0007","15.9432","0.0008","98.559","0.004","106.58","0.004","104.976","0.004","2246.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","1","0.5","","Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian","A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties","CrystEngComm","2016","18","44","8683","","10.1039/C6CE01827K","","","1.54184","CuKα","","0.067","0.0566","","","0.1507","0.1626","","","","","","1.039","","","","has coordinates","190089","2020-10-21","18:00:00",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226882","7.9507","0.0004","11.7608","0.0005","10.1981","0.0004","90","","110.216","0.005","90","","894.85","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0339","0.0312","","","0.0771","0.0787","","","","","","1.075","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226910","13.066","0.005","19.265","0.005","20.892","0.005","97.447","0.005","101.774","0.005","99.064","0.005","5012","3","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- Cr Cs5 H24 K2 O90 Si2 Ta6 W18 -","- Cr Cs5 K2 O83 Si2 Ta6 W18 -","- Cr2 Cs10 K4 O166 Si4 Ta12 W36 -","2","1","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0978","0.079","","","0.2087","0.2226","","","","","","0.971","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226911","34.419","0.005","16.271","0.005","21.596","0.005","90","0.005","114.928","0.005","90","0.005","10968","5","298","2","298.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- Cl2 Cs3 Fe H36 K4 O95 Si2 Ta6 W18 -","- Cl2 Cs4 Fe K4 O93 Si2 Ta6 W18 -","- Cl8 Cs16 Fe4 K16 O372 Si8 Ta24 W72 -","4","0.5","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0743","0.049","","","0.1242","0.1399","","","","","","1.02","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226924","7.8304","0.0009","15.1834","0.0018","12.9152","0.0015","90","","103.176","0.005","90","","1495.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mp-p1B-H5 F5-I-benzene, [1,2,3]Triazolo[1,5-a]quinoline","","- C16 H7 F5 I N3 -","- C16 H7 F5 I N3 -","- C64 H28 F20 I4 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.035","0.0265","","","0.0604","0.0651","","","","","","1.055","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226925","6.6906","0.0014","9.568","0.002","10.618","0.002","64.954","0.006","79.728","0.005","87.328","0.005","605.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Mp-p1b-Hb7 1,4-diiodotetrafluorobenzene, ([1,2,3]Triazolo[1,5-a]quinoline)2","","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","1","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0188","0.0181","","","0.0457","0.0464","","","","","","1.105","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226926","6.9843","0.0006","25.501","0.002","6.8129","0.0006","90","","108.111","0.004","90","","1153.3","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mp-p1b-H11 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)4-COOH","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C52 H48 N12 O8 -","2","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0642","0.0477","","","0.1181","0.1309","","","","","","1.097","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226927","10.9465","0.001","8.6731","0.0008","50.527","0.005","90","","93.861","0.004","90","","4786.2","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mp-p1b-H10 [1,2,3]Triazolo[1,5-a]quinoline","","- C10 H7 N3 -","- C10 H7 N3 -","- C240 H168 N72 -","24","3","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.1308","0.0697","","","0.1808","0.2101","","","","","","1.065","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226928","6.3976","0.0015","20.616","0.005","10.876","0.003","90","","98.126","0.009","90","","1420.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H21 [1,2,3]Triazolo[1,5-a]quinoline, 2-F-PhCOOH","","- C17 H12 F N3 O2 -","- C17 H12 F N3 O2 -","- C68 H48 F4 N12 O8 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.071","0.0504","","","0.1288","0.1439","","","","","","1.104","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226931","9.3698","0.0006","13.7351","0.0009","12.2408","0.0008","90","","90.6496","0.0015","90","","1575.23","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H29 [1,2,3]Triazolo[1,5-a]pyridine, 1,3,5-F3-2,4,6-I3-benzene","","- C12 H5 F3 I3 N3 -","- C12 H5 F3 I3 N3 -","- C48 H20 F12 I12 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0335","0.0288","","","0.0585","0.0598","","","","","","1.21","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226941","18.855","0.002","5.622","0.0004","16.886","0.002","90","","121.342","0.017","90","","1528.8","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cu N6 O S2 -","- C10 H14 Cu N6 O S2 -","- C40 H56 Cu4 N24 O4 S8 -","4","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.044","0.0348","","","0.0794","0.0837","","","","","","1.066","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226942","9.8235","0.0005","10.5552","0.0006","15.0423","0.0006","77.423","0.004","79.796","0.004","63.616","0.006","1357.95","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","1","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0568","0.0344","","","0.0778","0.0835","","","","","","0.951","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226943","20.3583","0.0015","7.8165","0.0004","21.6675","0.0017","90","","116.1","0.009","90","","3096.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu2 N11 S3 -","- C25 H32 Cu2 N11 S3 -","- C100 H128 Cu8 N44 S12 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0853","0.0503","","","0.1147","0.1293","","","","","","0.983","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226944","12.7902","0.0007","8.3391","0.0003","15.9931","0.0007","90","","113.001","0.006","90","","1570.19","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N7 S2 -","- C13 H9 Cu N7 S2 -","- C52 H36 Cu4 N28 S8 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0417","0.0299","","","0.0743","0.0789","","","","","","1.04","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226969","18","0.0009","18.933","0.001","28.187","0.002","76.131","0.002","71.402","0.003","86.574","0.003","8837.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H142 N16 O47 S8 -","- C152 H112 N16 O47 S8 -","- C304 H224 N32 O94 S16 -","2","1","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","0.71073","MoKα","","0.3207","0.22","","","0.4847","0.5243","","","","","","1.678","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226970","34.8241","0.0009","11.9401","0.0002","41.747","0.001","90","","98.01","0.003","90","","17189.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H182 N20 O55 S8 -","- C180 H140 N20 O55 S8 -","- C720 H560 N80 O220 S32 -","4","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.1485","0.1372","","","0.3708","0.3747","","","","","","1.203","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226971","14.8749","0.0004","20.9698","0.0008","30.2225","0.0009","97.318","0.003","99.924","0.002","95.529","0.003","9142.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C388 H375 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","1","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.0978","0.0778","","","0.246","0.2607","","","","","","0.946","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226972","16.746","0.006","34.094","0.013","19.114","0.008","90","","104.321","0.006","90","","10574","7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Mg4 N2 O27 -","- C78 H84 Mg4 N2 O27 -","- C312 H336 Mg16 N8 O108 -","4","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1528","0.0967","","","0.2591","0.2925","","","","","","1.034","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226973","15.547","0.006","20.203","0.01","20.451","0.012","118.19","0.03","95.92","0.07","103.52","0.05","5331","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H79 Ca4 Cl N2 O26 -","- C72 H79 Ca4 Cl N2 O26 -","- C144 H158 Ca8 Cl2 N4 O52 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.1977","0.1417","","","0.3812","0.4188","","","","","","1.114","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226974","16.331","0.006","19.681","0.005","21.132","0.004","59.93","0.017","71.32","0.02","83.87","0.02","5556","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 N6 O28 Sr4 -","- C92 H114 N6 O28 Sr4 -","- C184 H228 N12 O56 Sr8 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1618","0.1064","","","0.2324","0.2687","","","","","","1.042","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226975","19.519","0.004","19.943","0.003","32.106","0.007","76.687","0.014","83.425","0.015","61.034","0.009","10641","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H234 Ba9 N20 O68 -","- C188 H234 Ba9 N20 O68 -","- C376 H468 Ba18 N40 O136 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.0448","0.0308","","","0.0597","0.0637","","","","","","0.72","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226987","6.9223","0.0013","8.2857","0.0016","16.275","0.003","79.871","0.005","78.545","0.004","82.818","0.005","896.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","isoliquiritigenin-isonicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C42 H36 N4 O10 -","2","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1303","0.0744","","","0.1727","0.2","","","","","","1.023","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226988","21.909","0.006","3.7898","0.0013","23.918","0.007","90","","114.968","0.008","90","","1800.3","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","isoliquiritigenin-nicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1738","0.1314","","","0.2294","0.2442","","","","","","1.193","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226989","5.8589","0.0003","20.01","0.0012","10.2562","0.0005","90","","100.97","0.005","90","","1180.43","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C48 H48 N4 O12 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.045","0.0399","","","0.1041","0.109","","","","","","1.041","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226991","13.7666","0.0008","4.7286","0.0003","25.9341","0.0013","90","","97.914","0.006","90","","1672.15","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S2 -","- C18 H14 N2 O4 S2 -","- C72 H56 N8 O16 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0737","0.0576","","","0.1482","0.1623","","","","","","1.032","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226995","10.18976","0.0001","14.54422","0.00015","26.2201","0.0003","90","","99.5359","0.0011","90","","3832.18","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br2 N4 O4 S4 -","- C40 H38 Br2 N4 O4 S4 -","- C160 H152 Br8 N16 O16 S16 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0959","0.0981","","","","","","1.06","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226996","15.855","0.0002","5.37336","0.00005","16.575","0.0002","90","","112.663","0.0015","90","","1303.07","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N2 O2 S2 -","- C26 H30 Br2 N2 O2 S2 -","- C52 H60 Br4 N4 O4 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0254","0.0248","","","0.0694","0.0699","","","","","","1.097","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227005","11.759","0.0007","11.759","0.0007","11.759","0.0007","90","","90","","90","","1625.96","0.17","113","2","113","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Co K N8 -","- C12 H16.0032 Co K N8 -","- C48 H64.0128 Co4 K4 N32 -","4","0.0208333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0285","0.0274","","","0.0808","0.0812","","","","","","1.018","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227006","11.8233","0.0015","11.8233","0.0015","11.8233","0.0015","90","","90","","90","","1652.8","0.4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C12 H16 Co K N8 -","- C12.0008 H16.0032 Co K N8 -","- C48.0032 H64.0128 Co4 K4 N32 -","4","0.0833333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0452","0.0405","","","0.1336","0.1353","","","","","","1.053","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227007","8.6301","0.0005","7.7579","0.0007","23.769","0.002","90","","98.599","0.004","90","","1573.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-cyanopyridine)(1,2-dichloroethane)0.5","","- C12 H12 Br2 Cl N4 O2 -","- C12 H12 Br2 Cl N4 O2 -","- C48 H48 Br8 Cl4 N16 O8 -","4","0.5","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1346","0.1428","","","","","","1.058","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227008","7.714","0.0004","8.0925","0.0004","9.1626","0.0004","64.045","0.003","81.55","0.004","85.532","0.004","508.65","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)2(pyrazine)","","- C7 H8 Br2 N3 O2 -","- C7 H8 Br2 N3 O2 -","- C14 H16 Br4 N6 O4 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0357","0.0282","","","0.075","0.0775","","","","","","1.108","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227009","6.1692","0.0008","7.97","0.001","15.743","0.002","88.236","0.005","81.458","0.005","85.411","0.005","762.88","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)(methylisonicotinate)","","- C12 H13 Br2 N3 O4 -","- C12 H13 Br2 N3 O4 -","- C24 H26 Br4 N6 O8 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.072","0.0559","","","0.1645","0.1774","","","","","","1.035","","","","has coordinates,has disorder","190078","2020-10-21","18:00:00",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227011","9.4108","0.0004","7.9826","0.0003","19.9558","0.001","90","","97.418","0.002","90","","1486.59","0.11","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-trifluoromethylpyridine)","","- C11 H10 Br2 F3 N3 O2 -","- C11 H10 Br2 F3 N3 O2 -","- C44 H40 Br8 F12 N12 O8 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0523","0.0339","","","0.0928","0.1177","","","","","","0.819","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227012","9.2276","0.0005","11.6453","0.0006","12.8446","0.0007","89.771","0.001","76.772","0.001","76.684","0.001","1305.78","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O8 -","- C28 H26 Cu N4 O8 -","- C56 H52 Cu2 N8 O16 -","2","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0379","0.0318","","","0.0832","0.0859","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227013","9.0062","0.0006","19.4623","0.0014","16.0701","0.0012","90","","94.442","0.001","90","","2808.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N4 O8 -","- C28 H32 Cu N4 O8 -","- C112 H128 Cu4 N16 O32 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.084","0.0509","","","0.116","0.1306","","","","","","1.02","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227015","5.7315","0.0019","8.915","0.003","18.554","0.006","76.76","0.006","81.312","0.006","82.111","0.006","907","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1066","0.0855","","","0.2207","0.2399","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227016","16.4579","0.0008","7.6329","0.0003","15.1328","0.0007","90","","115.053","0.001","90","","1722.15","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N2 O6 -","- C18 H18 Co N2 O6 -","- C72 H72 Co4 N8 O24 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0297","0.0269","","","0.0781","0.0799","","","","","","1.048","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227029","14.042","0.009","18.453","0.011","17.33","0.011","90","","110.124","0.007","90","","4216","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H15 Br3 Cu3 O15 -","- C24 H15 Br3 Cu3 O15 -","- C96 H60 Br12 Cu12 O60 -","4","0.5","","Cheng, Fujun; Wang, Haijun; Hua, Yinying; Cao, Haifei; Zhou, Bihang; Duan, Jingui; Jin, Wanqin","Halogen bonded supramolecular porous structures with a kgm layer","CrystEngComm","2016","18","48","9227","","10.1039/C6CE02247B","","","0.71073","MoKα","","0.1629","0.0869","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","190073","2020-10-21","18:00:00",""
"7227043","7.5189","0.0007","8.8078","0.0007","13.135","0.001","87.752","0.006","89.74","0.007","80.065","0.007","856.16","0.12","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0722","0.0619","","","0.1713","0.1793","","","","","","1.031","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227044","8.3571","0.0003","15.9841","0.0005","12.6113","0.0005","90","","93.225","0.003","90","","1681.96","0.1","130","2","130.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C88 H56 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0494","0.0403","","","0.1095","0.1174","","","","","","1.07","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227045","11.9675","0.0003","10.4959","0.0003","14.5659","0.0003","90","","92.307","0.002","90","","1828.14","0.08","130","2","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 N5 -","- C22 H10 F4 N5 -","- C88 H40 F16 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0721","0.0646","","","0.1812","0.1891","","","","","","1.085","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227046","7.1083","0.0002","25.3703","0.0005","12.9159","0.0003","90","","100.474","0.002","90","","2290.44","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N6 O2 -","- C25 H21 F4 N6 O2 -","- C100 H84 F16 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0417","0.0338","","","0.085","0.0902","","","","","","1.028","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227047","7.088","0.0003","12.1413","0.0006","13.3964","0.0007","110.968","0.005","93.792","0.004","103.933","0.004","1029.99","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N6 O2 -","- C25 H17 N6 O2 -","- C50 H34 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0476","0.0444","","","0.1229","0.1263","","","","","","1.056","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227048","7.3694","0.0003","11.4503","0.0005","14.4977","0.0008","66.999","0.004","82.796","0.004","88.216","0.003","1116.98","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N6 O2 -","- C25 H25 N6 O2 -","- C50 H50 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0579","0.0497","","","0.1527","0.1572","","","","","","1.122","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227049","7.8219","0.0004","12.454","0.0005","13.5137","0.0006","117.204","0.004","90.126","0.004","104.916","0.005","1120.3","0.1","130","2","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N6 O3 -","- C26 H23 N6 O2.995 -","- C52 H46 N12 O5.99 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0643","0.0547","","","0.1385","0.1457","","","","","","1.083","","","","has coordinates,has disorder","190067","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227052","6.6808","0.0002","13.9762","0.0005","18.9142","0.0007","96.805","0.003","100.163","0.003","95.734","0.003","1712.87","0.1","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 N12 -","- C40 H28 N12 -","- C80 H56 N24 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0428","0.0344","","","0.0915","0.0964","","","","","","1.052","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227053","7.1455","0.0004","9.884","0.0007","16.27","0.0009","82.795","0.005","89.046","0.005","82.02","0.006","1128.97","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F4 N6 -","- C26 H19 F4 N6 -","- C52 H38 F8 N12 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0973","0.0781","","","0.2886","0.3038","","","","","","1.245","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227054","7.7053","0.0005","10.2744","0.0007","12.1391","0.0009","90.196","0.006","97.753","0.006","97.1","0.006","944.74","0.11","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H30 N10 -","- C50 H30 N10 -","- C50 H30 N10 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0594","0.046","","","0.1203","0.1313","","","","","","1.01","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227055","13.555","0.0014","26.637","0.003","28.386","0.003","90","","99.374","0.002","90","","10112.3","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H71.5 Co5 N25.5 O14.5 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2395","0.0637","","","0.1295","0.1641","","","","","","0.642","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227056","41.0956","0.0015","24.8982","0.0009","28.2361","0.0011","90","","104.629","0.002","90","","27954.7","1.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H87 Br4 Co5 N26 O11.5 -","- C102 H80 Br4 Co5 N26 O8 -","- C816 H640 Br32 Co40 N208 O64 -","8","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2717","0.11","","","0.261","0.3578","","","","","","0.96","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227057","13.241","0.003","26.889","0.005","28.423","0.006","90","","101.13","0.03","90","","9929","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H73 Cl Co5 N24 O12 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.0946","0.0693","","","0.2013","0.2236","","","","","","1.065","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227058","12.9691","0.0011","26.539","0.002","29.04","0.002","90","","104.905","0.007","90","","9658.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl4 Fe2 N24 O9 Zn3 -","- C96 H66 Cl4 Fe2 N24 O6 Zn3 -","- C384 H264 Cl16 Fe8 N96 O24 Zn12 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.3355","0.1192","","","0.2639","0.3849","","","","","","0.963","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227059","10.9907","0.0011","14.3055","0.0015","18.0914","0.0019","72.806","0.006","87.022","0.006","72.711","0.006","2592.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Br4 Cl Cu N10 O2 -","- C37 H35 Br4 Cl Cu N10 -","- C74 H70 Br8 Cl2 Cu2 N20 -","2","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2313","0.1057","","","0.2536","0.3193","","","","","","0.982","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227063","7.3884","0.0007","11.2382","0.001","14.808","0.0013","94.017","0.005","96.891","0.005","109.057","0.005","1145.92","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O9 -","- C24 H18 N4 O9 -","- C48 H36 N8 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.126","0.0515","","","0.1042","0.1284","","","","","","1","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227064","14.4119","0.0006","7.3071","0.0003","15.2855","0.0007","90","","106.646","0.003","90","","1542.25","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0707","0.0438","","","0.1166","0.135","","","","","","1.031","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227065","6.5509","0.0004","9.5558","0.0007","24.5384","0.0017","90","","91.662","0.004","90","","1535.44","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.096","0.0553","","","0.1441","0.1713","","","","","","1.013","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227066","9.0241","0.0015","11.982","0.002","14.549","0.002","90","","107.874","0.019","90","","1497.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1722","0.0928","","","0.1547","0.1945","","","","","","1.063","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227067","3.9318","0.0005","11.7049","0.0015","16.914","0.002","99.084","0.008","94.248","0.008","94.176","0.008","763.7","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1602","0.0555","","","0.1151","0.1705","","","","","","1.022","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227068","16.7216","0.0018","10.9118","0.0011","18.807","0.002","90","","113.093","0.006","90","","3156.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O5.5 -","- C17 H15 N2 O5.5 -","- C136 H120 N16 O44 -","8","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0926","0.0514","","","0.1046","0.1204","","","","","","1.068","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227069","14.9671","0.0009","7.0737","0.0004","15.0978","0.0009","90","","96.54","0.004","90","","1588.04","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1155","0.0541","","","0.1265","0.1535","","","","","","1.027","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227070","27.622","0.006","10.446","0.002","23.476","0.005","90","","107.661","0.003","90","","6454","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C196 H140 Br8 Cu4 F120 Gd4 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0494","","","0.1473","0.1551","","","","","","1.018","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227071","27.435","0.005","10.4861","0.0017","23.51","0.005","90","","107.52","0.004","90","","6450","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C196 H140 Br8 Cu4 Dy4 F120 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0627","0.0498","","","0.1434","0.1524","","","","","","1.014","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227072","11.73","0.0008","14.9975","0.0013","16.8333","0.0013","82.081","0.005","71.866","0.004","79.621","0.005","2757.6","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br Cu F30 Gd N3 O13 -","- C37 H22 Br Cu F30 Gd N3 O13 -","- C74 H44 Br2 Cu2 F60 Gd2 N6 O26 -","2","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0622","0.0499","","","0.1339","0.1475","","","","","","1.021","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227073","17.578","0.004","14.131","0.003","22.056","0.004","90","","106.7","0.03","90","","5248","2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu Dy F30 N3 O13 -","- C37 H22 Br Cu Dy F30 N3 O13 -","- C148 H88 Br4 Cu4 Dy4 F120 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0465","","","0.1309","0.1391","","","","","","1.012","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227074","14.835","0.003","19.359","0.004","18.279","0.004","90","","100.87","0.03","90","","5155.4","1.9","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 La N3 O13 -","- C37 H22 Br Cu F30 La N3 O13 -","- C148 H88 Br4 Cu4 F120 La4 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0654","0.0485","","","0.1237","0.137","","","","","","1.005","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227075","14.802","0.002","19.305","0.002","18.193","0.002","90","","100.899","0.004","90","","5104.9","1","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 N3 O13 Pr -","- C37 H22 Br Cu F30 N3 O13 Pr -","- C148 H88 Br4 Cu4 F120 N12 O52 Pr4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0343","0.0268","","","0.071","0.0725","","","","","","1.02","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7227076","27.231","0.006","10.521","0.002","23.519","0.005","90","","107.426","0.003","90","","6429","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C196 H140 Br8 Cu4 F120 N24 O56 Tb4 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.053","0.0467","","","0.1411","0.1489","","","","","","1.023","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227077","17.6067","0.0018","14.1422","0.001","22.0961","0.0017","90","","106.795","0.005","90","","5267.2","0.8","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu F30 N3 O13 Tb -","- C37 H22 Br Cu F30 N3 O13 Tb -","- C148 H88 Br4 Cu4 F120 N12 O52 Tb4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0388","0.0368","","","0.1258","0.1277","","","","","","1.019","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227098","17.5317","0.0012","17.5317","0.0012","15.757","0.002","90","","90","","90","","4843.1","0.8","296","2","296","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","NJU-Bai18","","","- C17 H11 Cl Co N2 O2 -","- C17 H11 Cl Co N2 O2 -","- C136 H88 Cl8 Co8 N16 O16 -","8","0.5","","Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng","A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake","CrystEngComm","2016","18","47","9003","","10.1039/C6CE02047J","","","0.71073","MoKα","","0.0526","0.0472","","","0.1633","0.1679","","","","","","1.061","","","","has coordinates,has disorder","190092","2020-10-21","18:00:00",""
"7227099","10.048","0.003","20.458","0.005","10.462","0.003","90","","92.797","0.005","90","","2148","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mn N2 O8 -","- C24 H20 Mn N2 O8 -","- C96 H80 Mn4 N8 O32 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0862","0.059","","","0.129","0.149","","","","","","1.022","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227100","12.38","0.005","6.836","0.003","13.578","0.005","90","","114.624","0.007","90","","1044.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O4 Zn -","- C12 H8 N O4 Zn -","- C48 H32 N4 O16 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1071","0.0597","","","0.1275","0.145","","","","","","1.094","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227101","15.864","0.002","10.2331","0.0014","8.453","0.0011","90","","93.405","0.002","90","","1369.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O7 Pb -","- C12 H10 N2 O7 Pb -","- C48 H40 N8 O28 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0587","0.0495","","","0.1439","0.1568","","","","","","1.014","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227102","13.412","0.003","15.726","0.003","12.078","0.003","90","","92.315","0.004","90","","2545.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Mn3 N4 O26 -","- C50 H42 Mn3 N4 O26 -","- C100 H84 Mn6 N8 O52 -","2","0.5","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1313","0.0911","","","0.2806","0.323","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227104","20.213","0.005","17.232","0.005","7.666","0.002","90","","95.997","0.005","90","","2655.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0597","0.0389","","","0.0902","0.0945","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227123","16.923","0.003","4.7963","0.0007","9.884","0.0015","90","","101.424","0.005","90","","786.4","0.2","420","2","420","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0815","0.0723","","","0.2234","0.2377","","","","","","1.05","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227124","16.894","0.002","4.7953","0.0006","9.8686","0.0013","90","","101.318","0.004","90","","783.93","0.17","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0773","0.0711","","","0.2252","0.2368","","","","","","1.055","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227156","9.785","0.001","10.4737","0.001","14.8053","0.001","80.999","0.01","89.131","0.01","70.023","0.01","1407.3","0.2","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N5 O5 -","- C26 H33 Cl2 N5 O5 -","- C52 H66 Cl4 N10 O10 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0603","0.0467","","0.1177","0.1087","0.1176","","","","","","0.9712","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227157","14.6736","0.0006","14.8453","0.0005","15.2727","0.0006","90","","114.517","0.005","90","","3027","0.2","120","","120","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 N5 O4 -","- C30 H39 Cl2 N5 O4 -","- C120 H156 Cl8 N20 O16 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0574","0.0488","","0.1306","0.1215","0.1305","","","","","","0.9782","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227158","9.1549","0.001","13.0427","0.001","15.0857","0.001","69.094","0.01","88.905","0.01","77.835","0.01","1641.8","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cl2 N5 O10 -","- C26 H43 Cl2 N5 O10 -","- C52 H86 Cl4 N10 O20 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.0604","0.0492","","0.1367","0.1267","0.1367","","","","","","0.9762","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227159","10.3869","0.0004","10.6513","0.0004","14.8652","0.0005","104.472","0.003","97.659","0.003","91.287","0.003","1575.54","0.1","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl2 N5 O6 -","- C29 H41 Cl2 N5 O6 -","- C58 H82 Cl4 N10 O12 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0637","0.0536","","0.1525","0.138","0.1523","","","","","","0.9695","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","190076","2020-10-21","18:00:00",""
"7227161","10.6335","0.0002","14.8355","0.0003","22.083","0.0004","72.0962","0.0017","81.9476","0.0017","81.2892","0.0017","3260.49","0.11","120","","120","","","","100","","","","","6","P -1","-P 1","2","","","","- C28 H41 Cl2 N5 O7 S -","- C28 H41 Cl2 N5 O7 S -","- C112 H164 Cl8 N20 O28 S4 -","4","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0606","0.0561","","0.152","0.1452","0.152","","","","","","0.9303","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227162","12.3214","0.0002","12.7934","0.0002","20.7918","0.0003","90","","102.051","0.0012","90","","3205.24","0.09","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl2 N5 O9 -","- C26 H41 Cl2 N5 O9 -","- C104 H164 Cl8 N20 O36 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0349","0.0312","","0.0797","0.0772","0.0797","","","","","","0.9744","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227163","10.294","0.001","11.1936","0.001","14.8961","0.001","107.974","0.01","98.064","0.01","90.706","0.01","1613.7","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl2 N5 O7 -","- C30 H41 Cl2 N5 O7 -","- C60 H82 Cl4 N10 O14 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0447","0.0423","","0.1126","0.1102","0.1126","","","","","","0.9439","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227164","15.0423","0.001","11.6835","0.001","31.4491","0.001","90","","92.372","0.01","90","","5522.3","0.6","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 N5 O4 -","- C27 H33 Cl2 N5 O4 -","- C216 H264 Cl16 N40 O32 -","8","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.102","0.0556","","0.151","0.1209","0.1507","","","","","","0.92","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227166","9.5877","0.0006","12.476","0.0012","12.9719","0.0007","80.606","0.004","77.792","0.004","71.174","0.004","1427.84","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N5 O4 -","- C26 H28 Cl2 N5 O4 -","- C52 H56 Cl4 N10 O8 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.0876","0.0841","","0.0769","0.0766","","","","1.93","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227167","23.385","0.002","5.3635","0.0004","17.4866","0.0016","90","","110.455","0.01","90","","2055","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0974","0.0508","","","0.1113","0.1346","","","","","","1.04","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227168","5.5724","0.0003","11.3414","0.0007","17.3547","0.0009","90","","96.822","0.005","90","","1089.03","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C56 H40 N4 O4 S4 -","2","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0692","0.0569","","","0.1514","0.1642","","","","","","1.077","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236161","12.4401","0.0002","11.2487","0.0002","15.3872","0.0003","90","","93.715","0.002","90","","2148.68","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cu2 N10 O10 -","- C40 H46 Cu2 N10 O10 -","- C80 H92 Cu4 N20 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0696","0.0706","","","","","","1.042","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236163","7.8022","0.0002","22.6506","0.0006","11.4896","0.0003","90","","92.226","0.002","90","","2028.96","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Cu2 N8 O10 -","- C38 H38 Cl2 Cu2 N8 O10 -","- C76 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0427","0.0343","","","0.0763","0.0811","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236165","11.2175","0.0006","27.351","0.002","12.9381","0.0009","90","","99.598","0.006","90","","3914","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu2 F6 N8 O2 Si -","- C38 H38 Cu2 F6 N8 O2 Si -","- C152 H152 Cu8 F24 N32 O8 Si4 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","1.5418","CuKα","","0.0501","0.035","","","0.0805","0.0877","","","","","","1.017","","","","has coordinates,has disorder","234702","2020-10-21","18:00:00",""
"7236166","10.6138","0.0002","11.0181","0.0002","16.4294","0.0004","90","","100.83","0.002","90","","1887.1","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N8 O8 S2 -","- C36 H32 Cu2 N8 O8 S2 -","- C72 H64 Cu4 N16 O16 S4 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0417","0.0339","","","0.0772","0.0823","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236167","4.6147","0.0006","6.5781","0.0012","12.9004","0.0016","90","","90.418","0.009","90","","391.59","0.1","223","1","223","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.0731","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236168","4.6604","0.0003","7.4079","0.0007","10.4566","0.0006","90","","92.007","0.004","90","","360.78","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.1058","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236169","10.5995","0.0002","12.1967","0.0003","16.3411","0.0004","98.732","0.002","107.645","0.002","109.102","0.002","1826.92","0.09","288.53","0.1","288.53","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0473","0.0349","","","0.0799","0.0854","","","","","","1.027","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236171","9.6379","0.0004","10.2081","0.0003","12.1115","0.0005","112.98","0.003","99.703","0.003","95.828","0.003","1062.79","0.08","290.88","0.19","290.88","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0483","0.0467","","","0.143","0.1445","","","","","","1.103","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236172","9.67809","0.00016","10.27573","0.00015","11.9152","0.0002","112.179","0.0015","101.863","0.0014","93.0017","0.0013","1062.75","0.03","288.53","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0318","0.0316","","","0.0797","0.0798","","","","","","1.108","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236173","9.8669","0.0002","10.425","0.0002","12.4397","0.0003","111.316","0.0019","102.568","0.0018","93.8625","0.0017","1148.29","0.05","290.56","0.17","290.56","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0352","0.0342","","","0.1097","0.1106","","","","","","1.131","","","","has coordinates","234710","2020-10-21","18:00:00",""
"7236174","9.6701","0.0002","10.2782","0.0002","11.9406","0.0003","112.322","0.002","101.936","0.002","92.9815","0.0019","1062.89","0.05","288.85","0.12","288.85","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0454","0.0396","","","0.097","0.1004","","","","","","1.054","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236175","9.7826","0.0002","10.3101","0.0002","12.1333","0.0003","112.088","0.002","101.488","0.002","94.1132","0.0018","1096.65","0.05","289.03","0.1","289.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.044","0.0425","","","0.1281","0.1298","","","","","","1.112","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236176","8.6354","0.0003","21.9273","0.0007","18.4048","0.0006","90","","108.339","0.003","90","","3308","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Co N5 O6 -","- C32 H21 Co N5 O6 -","- C128 H84 Co4 N20 O24 -","4","1","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1576","0.0648","","","0.1459","0.1823","","","","","","0.963","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236178","9.856","0.007","10.988","0.008","17.309","0.013","80.255","0.007","75.531","0.006","86.663","0.007","1789","2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","1","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1393","0.0596","","","0.1075","0.134","","","","","","0.965","","","","has coordinates,has disorder","234713","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236180","20.772","0.009","20.772","0.009","21.053","0.001","90","","90","","120","","7867","5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H54 Cr3 Cu3 N13 O49 -","- C36 H24 Cr3 Cu3 N6 O28 -","- C72 H48 Cr6 Cu6 N12 O56 -","2","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0887","0.0726","","","0.2137","0.2411","","","","","","1.089","","","","has coordinates","234716","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236183","22.045","0.002","22.045","0.002","21.768","0.002","90","","90","","120","","9161.6","1.4","100","2","100.15","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C78 H84 Cl6 Cr6 Mn3 N14 O44 -","- C78 H48 Cl6 Cr6 Mn3 N12 O38 -","- C156 H96 Cl12 Cr12 Mn6 N24 O76 -","2","0.0833333","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0961","0.0601","","","0.1945","0.2415","","","","","","1.079","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7238068","11.2652","0.0015","12.2246","0.0015","12.2787","0.0018","94.758","0.011","115.462","0.014","111.252","0.012","1364.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N12 O4 Zn -","- C26 H24 N12 O4 Zn -","- C52 H48 N24 O8 Zn2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0839","0.0575","","","0.1467","0.1616","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238069","8.2082","0.0006","10.6317","0.0008","12.4526","0.001","79.48","0.007","74.303","0.007","69.897","0.007","977.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N10 O -","- C20 H13 Cd N10 O -","- C40 H26 Cd2 N20 O2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0299","0.0256","","","0.0534","0.055","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7238071","5.9576","0.0007","16.05","0.0018","16.1222","0.0018","90","","100.028","0.002","90","","1518","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 O2 -","- C14 H12 N8 O2 -","- C56 H48 N32 O8 -","4","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0399","0.0332","","","0.0855","0.0886","","","","","","1.078","","","","has coordinates","288505","2023-12-22","15:12:04",""