# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:41:46+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 23 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
"1565076","18.5171","0.0001","18.5171","0.0001","7.067","0.0001","90","","90","","90","","2423.15","0.04","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetone pentasolvate","","- C49 H66 B4 O13 -","- C49 H66 B4 O13 -","- C98 H132 B8 O26 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.0947","0.0958","","","0.1964","0.197","","","","","","1.214","","","","has coordinates,has disorder","271178","2021-12-07","03:09:06",""
"1565077","18.8442","0.0015","18.8442","0.0015","7.0478","0.0006","90","","90","","90","","2502.7","0.4","100","2","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethyl sulfoxide pentasolvate","","- C44 H60 B4 O13 S5 -","- C44 H60 B4 O13 S5 -","- C88 H120 B8 O26 S10 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1317","0.1168","","","0.2442","0.2522","","","","","","1.205","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565078","11.2591","0.0007","11.2591","0.0007","7.1282","0.0005","90","","90","","90","","903.62","0.1","100.01","0.1","100","1","","","","","","","","4","P -4","P -4","81","","tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate","","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","1","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54184","CuKα","","0.0741","0.064","","","0.1759","0.1872","","","","","","1.066","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565079","17.4201","0.0007","17.4201","0.0007","26.248","0.003","90","","90","","90","","7965.2","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","tetrakis(4-dihydroxyborylphenyl)adamantane dioxane disolvate water monosolvate","","- C42 H54 B4 O13 -","- C42 H54 B4 O13 -","- C336 H432 B32 O104 -","8","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54178","CuKα","","0.127","0.1118","","","0.3483","0.3637","","","","","","1.67","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565080","18.7776","0.0003","18.7776","0.0003","7.0172","0.0003","90","","90","","90","","2474.25","0.12","100","2","95","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetonitrile monosolvate dimethyl sulfoxide tetrasolvate","","- C43 H61.5 B4 N0.5 O12 S4 -","- C43 H61.5 B4 N0.5 O12 S4 -","- C86 H123 B8 N O24 S8 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.1126","0.0825","","","0.2422","0.2699","","","","","","1.055","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565081","16.1648","0.0015","16.1648","0.0015","7.1212","0.0012","90","","90","","90","","1860.8","0.4","100","2","100.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-(hydroxymetoxy)borylphenyl)adamantane urea cocrystal","","- C19.5 H24 B2 N O4.5 -","- C19.5 H24 B2 N O4.5 -","- C78 H96 B8 N4 O18 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1946","0.1508","","","0.3939","0.4235","","","","","","1.114","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565082","30.202","0.013","7.1631","0.0002","25.857","0.005","90","","117.95","0.04","90","","4941","3","100","2","100","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate","","- C46 H63 B4 N4 O12 -","- C46 H63 B4 N4 O12 -","- C184 H252 B16 N16 O48 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.5418","CuKα","","0.1033","0.0759","","","0.2133","0.2391","","","","","","1.02","","","","has coordinates","271178","2021-12-07","03:09:07",""
"7241419","14.167","0.0002","14.5777","0.0002","17.038","0.0002","89.14","0.001","79.848","0.001","62.998","0.001","3077.58","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 N8 O17 Zn2 -","- C76 H42 N8 O17 Zn2 -","- C152 H84 N16 O34 Zn4 -","2","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0412","0.0391","","","0.1126","0.1144","","","","","","1.041","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241420","18.6379","0.0002","11.3482","0.0001","28.6405","0.0003","90","","90","","90","","6057.66","0.11","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0684","0.0694","","","","","","1.073","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241434","21.8025","0.0003","26.2621","0.0004","29.1639","0.0004","90","","90","","90","","16698.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C38 H31 Ag4 N18 O4.5 -","- C38 H29 Ag4 N18 O4.5 -","- C608 H464 Ag64 N288 O72 -","16","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","1.54178","CuKα","","0.0331","0.0301","","","0.0769","0.0782","","","","","","1.027","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241435","14.8663","0.0011","7.3955","0.0008","20.839","0.002","90","","119.363","0.006","90","","1996.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Ag3 I N9 -","- C19 H11 Ag3 I N9 -","- C76 H44 Ag12 I4 N36 -","4","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","0.71073","MoKα","","0.0959","0.0513","","","0.1049","0.1334","","","","","","0.992","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241447","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241448","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241453","16.9329","0.0001","16.7397","0.0001","24.8806","0.0002","90","","90","","90","","7052.45","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3.61 H1.55 O2.06 S0.26 Zn0.39 -","- C3.6129 H1.41935 O2.06452 S0.258065 Zn0.387097 -","- C112 H44 O64 S8 Zn12 -","31","3.875","","Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing","Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics","CrystEngComm","2021","23","3","629","637","10.1039/D0CE01483D","","","1.54184","CuKα","","0.0372","0.0347","","","0.0958","0.0974","","","","","","1.067","","","","has coordinates","261631","2021-02-04","23:04:54",""
"7241455","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.0662","0.0542","","","0.1442","0.1507","","","","","","1.09","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241456","8.016","0.0005","8.016","0.0005","15.1863","0.0012","90","","90","","120","","845.08","0.1","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.1049","0.0887","","","0.229","0.2461","","","","","","1.01","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241457","9.4609","0.0008","10.3877","0.0009","11.0504","0.0008","115.254","0.003","107.794","0.003","90.967","0.003","921.44","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 O14 Tb -","- C16 H6 O14 Tb -","- C32 H12 O28 Tb2 -","2","1","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0237","0.0221","","","0.0558","0.0562","","","","","","1.129","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241458","7.9806","0.0008","9.954","0.0009","10.8426","0.0011","74.62","0.003","74.092","0.003","73.803","0.003","778.67","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 O25 Sm2 -","- C24 H8 O25 Sm2 -","- C24 H8 O25 Sm2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0242","0.0232","","","0.0605","0.0608","","","","","","1.136","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241459","16.982","0.002","10.8156","0.0015","20.008","0.002","90","","105.231","0.004","90","","3545.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Gd4 O58 -","- C48 H12 Gd4 O58.372 -","- C96 H24 Gd8 O116.744 -","2","0.25","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0813","0.083","","","","","","1.142","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241460","9.3864","0.0007","10.0102","0.0007","10.3408","0.0008","107.622","0.003","99.379","0.003","110.08","0.003","830.17","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 O23 Y2 -","- C24 H6 O23 Y2 -","- C24 H6 O23 Y2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0366","0.0323","","","0.0928","0.0946","","","","","","1.081","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241461","10.9491","0.0014","12.8463","0.0016","11.5619","0.0014","90","","102.493","0.004","90","","1587.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Gd2 O25 -","- C24 H8 Gd2 O25 -","- C48 H16 Gd4 O50 -","2","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0254","0.0244","","","0.0622","0.0628","","","","","","1.082","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241462","26.912","0.002","26.912","","26.912","","90","","90","","90","","19491.2","1.4","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C16 H19 O15 Pr -","- C16 H6 O15 Pr -","- C384 H144 O360 Pr24 -","24","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.1372","0.1222","","","0.3309","0.4051","","","","","","1.955","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241465","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","261586","2021-02-04","22:54:38",""
"7241466","10.23633","0.00014","16.7834","0.0003","13.50677","0.00018","90","","97.0002","0.0013","90","","2303.17","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0381","0.0315","","","0.0811","0.0862","","","","","","1.027","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241467","10.1802","0.00009","16.57028","0.00017","13.45064","0.00012","90","","97.078","0.0008","90","","2251.68","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0267","0.0249","","","0.064","0.0656","","","","","","1.026","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241468","10.15307","0.00007","16.4993","0.00013","13.41809","0.0001","90","","97.0345","0.0007","90","","2230.86","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0233","0.0226","","","0.058","0.0584","","","","","","1.039","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241469","10.20882","0.00012","16.6674","0.0002","13.48201","0.00016","90","","97.0862","0.0011","90","","2276.5","0.05","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0303","0.0273","","","0.07","0.0722","","","","","","1.005","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241470","10.22154","0.00011","16.7214","0.0002","13.49259","0.00015","90","","97.0519","0.0011","90","","2288.69","0.05","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0322","0.0279","","","0.072","0.0754","","","","","","1.017","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241471","5.3989","0.0003","10.1581","0.0005","23.3868","0.0012","90","","90.508","0.002","90","","1282.54","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.07","0.0667","","","0.2082","0.2145","","","","","","1.069","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241472","13.6157","0.0014","14.5331","0.0016","18.1322","0.0019","109.291","0.003","110.987","0.003","95.422","0.003","3068.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 N5 O10 Zn -","- C28 H41 N5 O10 Zn -","- C112 H164 N20 O40 Zn4 -","4","2","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1064","0.0901","","","0.2286","0.2389","","","","","","1.108","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241473","15.2574","0.0003","7.1581","0.0001","13.6618","0.0003","90","","102.27","0.0006","90","","1457.98","0.05","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C26 H32 Cu2 F6 N4 O6 Si -","- C26 H32 Cu2 F6 N4 O6 Si -","- C52 H64 Cu4 F12 N8 O12 Si2 -","2","0.25","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0357","0.0332","","","0.0931","0.0961","","","","","","1.079","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241474","9.4517","0.0014","10.1415","0.0014","10.5338","0.0015","107.386","0.007","91.631","0.008","92.042","0.008","962.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.1196","0.0887","","","0.2411","0.2785","","","","","","1.02","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241475","11.8828","0.0004","7.2916","0.0002","17.5807","0.0006","90","","92.6591","0.0006","90","","1521.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu2 N6 O12 -","- C26 H34 Cu2 N6 O12 -","- C52 H68 Cu4 N12 O24 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0301","0.0297","","","0.0867","0.0874","","","","","","1.057","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241476","22.063","0.009","5.803","0.002","24.656","0.01","90","","105.727","0.007","90","","3039","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O9 -","- C32 H29 N4 Ni O9 -","- C128 H116 N16 Ni4 O36 -","4","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1571","0.0705","","","0.1721","0.2291","","","","","","0.994","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241491","5.4383","0.0002","5.4383","0.0002","10.8455","0.0005","90","","90","","90","","320.76","0.02","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu1.94 S4 Sn Zn1.06 -","- Cu1.94 S4 Sn Zn1.06 -","- Cu3.88 S8 Sn2 Zn2.12 -","2","0.125","","Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.","Cu2ZnSnS4 crystal growth using an SnCl2 based flux","CrystEngComm","2021","23","4","1025","1032","10.1039/D0CE01264E","","x-ray","0.71073","MoKα","","0.0092","0.0092","","","0.0224","0.0224","","","","","","1.053","","","","has coordinates","261608","2021-02-04","22:59:26",""
"7241492","22.0734","0.0004","4.4546","0.0001","22.931","0.0004","90","","95.154","0.002","90","","2245.65","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N4 O S3 -","- C8 H8 N4 O S3 -","- C64 H64 N32 O8 S24 -","8","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0234","0.0233","","","0.0621","0.0622","","","","","","1.042","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241493","6.976","0.0002","11.2345","0.0002","26.3305","0.0005","80.082","0.002","85.993","0.002","80.258","0.002","2001.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Br N7 O2 S6 -","- C11 H12 Br N7 O2 S6 -","- C44 H48 Br4 N28 O8 S24 -","4","2","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid–pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0286","0.0236","","","0.0533","0.055","","","","","","1.035","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7241494","9.325","0.0003","9.4506","0.0004","11.092","0.0004","108.119","0.003","91.734","0.003","112.132","0.004","848.43","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N5 O2 S5 -","- C13 H11 N5 O2 S5 -","- C26 H22 N10 O4 S10 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0236","0.0218","","","0.0542","0.0553","","","","","","1.048","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241495","17.0067","0.0003","4.5591","0.0001","24.5193","0.0003","90","","108.58","0.002","90","","1802.02","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N7 O6 S3 -","- C13 H11 N7 O6 S3 -","- C52 H44 N28 O24 S12 -","4","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0281","0.0256","","","0.0661","0.0675","","","","","","1.059","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241499","12.279","0.004","13.059","0.005","16.422","0.006","89.384","0.006","86.725","0.005","64.779","0.005","2378.1","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C87 H68 Cl8 Cu2 N12 O17 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1362","0.0775","","","0.2004","0.2266","","","","","","0.92","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241500","8.184","0.004","12.719","0.007","12.938","0.007","113.72","0.009","105.632","0.009","90.756","0.009","1176","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cu N5 O7 -","- C22 H19 Cu N5 O7 -","- C44 H38 Cu2 N10 O14 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1637","0.0773","","","0.1284","0.1512","","","","","","0.876","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241501","8.779","0.003","9.042","0.003","23.964","0.007","90","","97.906","0.004","90","","1884.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cu N8 O6 -","- C42 H30 Cu N8 O6 -","- C84 H60 Cu2 N16 O12 -","2","0.5","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1","0.0571","","","0.1049","0.1174","","","","","","0.956","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241502","13.335","0.004","16.4","0.005","8.497","0.003","90","","93.567","0.005","90","","1854.6","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C15 H14 Ag F3 N4 O3 S -","- C15 H14 Ag F3 N4 O3 S -","- C60 H56 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0915","0.0745","","","0.1621","0.1709","","","","","","1.072","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241503","16.748","0.007","9.455","0.004","4.562","0.002","90","","100.666","0.008","90","","709.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","work","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0615","0.049","","","0.1007","0.106","","","","","","1.021","","","","has coordinates,has disorder","261622","2021-02-04","23:02:47",""
"7241504","13.3761","0.0007","16.6393","0.001","8.5931","0.0005","90","","93.452","0.003","90","","1909.09","0.19","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C16 H16 Ag F3 N4 O3 S -","- C16 H16 Ag F3 N4 O3 S -","- C64 H64 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0614","0.0525","","","0.1105","0.114","","","","","","0.989","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241505","17.2606","0.0004","10.9538","0.0003","8.1564","0.0002","90","","101.455","0.001","90","","1511.41","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","work","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0424","0.0382","","","0.1023","0.1049","","","","","","1.082","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241511","11.2878","0.0004","19.5609","0.0008","12.4512","0.0004","90","","93.307","0.002","90","","2744.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 N5 O8 Pb -","- C21 H33 Cl2 N5 O8 Pb -","- C84 H132 Cl8 N20 O32 Pb4 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0319","0.0294","","","0.0726","0.0735","","","","","","1.137","","","","has coordinates","261619","2021-02-04","23:01:55",""
"7241512","8.3269","0.0002","18.7143","0.0005","16.6875","0.0005","90","","99.729","0.003","90","","2563.05","0.12","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Br0.74 Cl1.26 N5 O6 -","- C21 H39 Br0.738 Cl1.262 N5 O6 -","- C84 H156 Br2.952 Cl5.048 N20 O24 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0421","0.0315","","","0.0689","0.0742","","","","","","1.055","","","","has coordinates,has disorder","261619","2021-02-04","23:01:59",""
"7241513","16.7209","0.0003","17.2504","0.0005","27.8319","0.0007","90","","93.438","0.002","90","","8013.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2-{2-[(2-chloro-6-methylphenyl)amino]phenyl}acetate","","- C41.75 H35.98 Cl4 N5 O2.75 -","- C41.745 H35.982 Cl4 N5 O2.745 -","- C333.96 H287.856 Cl32 N40 O21.96 -","8","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.087","0.0592","","","0.1683","0.1928","","","","","","1.017","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241514","10.7319","0.0004","13.6005","0.0006","21.5496","0.0009","73.502","0.004","77.404","0.004","73.54","0.004","2859.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0777","0.0521","","","0.1376","0.1602","","","","","","1.024","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241515","12.5325","0.0005","13.1139","0.0003","13.1773","0.0004","82.032","0.002","71.833","0.003","74.538","0.003","1979.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium (1+) diclofenac (1-) ethanol solvate","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0596","0.0569","","","0.1599","0.1655","","","","","","1.068","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241516","11.9326","0.0003","15.2549","0.0004","16.0042","0.0004","89.161","0.002","70.57","0.002","69.693","0.002","2559.79","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium 1+ diclofenac 1- diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.052","0.0449","","","0.1215","0.1289","","","","","","1.042","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241517","10.4132","0.0005","21.2266","0.0007","25.0657","0.0007","66.238","0.003","89.969","0.003","86.658","0.003","5060.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","nonakis(2-hydroxybenzaldehyde) tetrakis(N-[(2E)-10- (4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium) tetrakis(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hydrate","","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0751","0.0595","","","0.1527","0.1709","","","","","","1.032","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241518","12.4461","0.0006","13.2751","0.0005","13.3667","0.0006","84.423","0.003","67.963","0.004","66.662","0.004","1876.21","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium 2-{2- [(2,6-dichlorophenyl)amino]phenyl}acetate","","- C41 H33 Cl4 N5 O2 -","- C41 H33 Cl4 N5 O2 -","- C82 H66 Cl8 N10 O4 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0622","0.048","","","0.1247","0.1409","","","","","","1.028","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241519","11.6515","0.0003","11.7149","0.0003","16.0793","0.0004","103.558","0.002","90.461","0.002","105.25","0.002","2052.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene] propan-2-aminium acetonitrile 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate dihydrate","","- C43 H40 Cl4 N6 O4 -","- C43 H40 Cl4 N6 O4 -","- C86 H80 Cl8 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.032","0.0312","","","0.0795","0.0802","","","","","","1.032","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241520","10.8837","0.0002","14.4737","0.0003","17.7519","0.0004","101.568","0.002","105.173","0.002","94.286","0.002","2620.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac (1-) diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.056","0.0504","","","0.1352","0.1407","","","","","","1.047","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241521","12.5818","0.0004","13.4486","0.0003","13.5318","0.0003","80.291","0.002","71.638","0.002","71.71","0.002","2057.12","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0549","0.05","","","0.1389","0.1455","","","","","","1.063","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241522","10.5086","0.0004","13.4783","0.0005","21.4224","0.0008","73.629","0.003","76.913","0.003","73.271","0.003","2752.92","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0474","0.0351","","","0.0831","0.0903","","","","","","1.028","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241523","15.0569","0.0004","15.3773","0.0004","15.4247","0.0004","76.043","0.002","61.975","0.003","63.541","0.003","2820.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac ethylacetate solvate","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethyl acetate 2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate","","- C59 H52 Cl6 N6 O6 -","- C59 H52 Cl6 N6 O6 -","- C118 H104 Cl12 N12 O12 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0455","0.0417","","","0.1175","0.1217","","","","","","1.052","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241524","15.0694","0.0011","15.2735","0.001","15.5991","0.0013","74.882","0.007","61.685","0.008","64.227","0.007","2839.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac acetonitrile solvated cocrystal of salt","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium bis(acetonitrile) 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C59 H50 Cl6 N8 O4 -","- C59 H50 Cl6 N8 O4 -","- C118 H100 Cl12 N16 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0629","0.0496","","","0.1422","0.1589","","","","","","1.077","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241525","11.3186","0.0013","15.9262","0.0017","11.5922","0.0013","90","","118.548","0.0012","90","","1835.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Br10 N4 O2 Pb3 -","- C14 H36 Br10 N4 O2 Pb3 -","- C28 H72 Br20 N8 O4 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0684","0.0478","","","0.1565","0.1674","","","","","","1.11","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241526","11.3799","0.0008","14.9895","0.0011","11.4899","0.0008","90","","116.744","0.0008","90","","1750.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Br10 N4 Pb3 -","- C12 H36 Br10 N4 Pb3 -","- C24 H72 Br20 N8 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0726","0.0511","","","0.1486","0.1679","","","","","","0.9785","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241527","20.368","0.003","8.0895","0.0012","22.524","0.003","90","","114.569","0.0017","90","","3375.2","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 Br10 N4 Pb3 -","- C10 H32 Br10 N4 Pb3 -","- C40 H128 Br40 N16 Pb12 -","4","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0686","0.0474","","","0.1093","0.1207","","","","","","1.0423","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241528","43.481","0.007","21.109","0.003","22.589","0.004","90","","109.211","0.003","90","","19579","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 B12 Cl12 Cu N4 O4 -","- C44 H48 B12 Cl12 Cu N4 O4 -","- C352 H384 B96 Cl96 Cu8 N32 O32 -","8","1","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1325","0.0983","","","0.2539","0.2738","","","","","","1.11","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241529","13.943","0.003","14.893","0.003","15.01","0.003","94.689","0.004","104.281","0.004","115.487","0.004","2663","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","BSF-72","","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","1","0.5","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1483","0.0754","","","0.2213","0.2465","","","","","","1.085","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241530","33.475","0.003","33.475","0.003","39.463","0.005","90","","90","","90","","44221","8","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","BSF-74","","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C1088 H960 B384 Cl384 Cu32 N128 O64 -","16","2","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.0922","0.0627","","","0.1693","0.1896","","","","","","1.023","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241531","29.813","0.006","4.787","0.002","9.861","0.002","90","0.03","90","0.03","90","0.03","1407.3","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","Nicorandil-Fumaric acid salt","","","- C12 H13 N3 O8 -","- C12 H13 N3 O8 -","- C48 H52 N12 O32 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.0307","0.0284","","","0.069","0.0706","","","","","","1.072","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241532","6.835","0.002","23.752","0.005","8.939","0.002","90","","101.16","0.03","90","","1423.8","0.6","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicorandil-Subaric acid cocrystal","","","- C12 H16 N3 O6 -","- C12 H16 N3 O6 -","- C48 H64 N12 O24 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.1291","0.0606","","","0.1345","0.1635","","","","","","1.015","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241533","12.695","0.0003","11.9208","0.0003","28.7356","0.0008","90","","93.129","0.002","90","","4342.21","0.19","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 N4 Nd2 O44 Zn8 -","- C64 H90 N4 Nd2 O44 Zn8 -","- C128 H180 N8 Nd4 O88 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0448","","","0.0953","0.1067","","","","","","1.07","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241534","13.0554","0.0006","12.0662","0.0006","26.2854","0.001","90","","94.196","0.004","90","","4129.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Er2 N6 O39 Zn8 -","- C66 H84 Er2 N6 O39 Zn8 -","- C132 H168 Er4 N12 O78 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0613","0.058","","","0.1667","0.1696","","","","","","1.086","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241535","35.0049","0.0013","12.2103","0.001","17.8898","0.0009","90","","91.002","0.003","90","","7645.3","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N10 Ni2 O30 Tb2 -","- C54 H72 N10 Ni2 O30 Tb2 -","- C216 H288 N40 Ni8 O120 Tb8 -","4","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0449","","","0.1006","0.1147","","","","","","1.058","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241536","12.8027","0.0009","11.7339","0.0008","28.8","0.002","90","","93.274","0.002","90","","4319.4","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 Dy2 N4 O40 Zn8 -","- C62 H78 Dy2 N4 O40 Zn8 -","- C124 H156 Dy4 N8 O80 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0546","0.0437","","","0.1218","0.1308","","","","","","1.028","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241537","11.3623","0.0004","15.8821","0.0006","20.216","0.0006","99.724","0.003","93.835","0.003","102.377","0.003","3491.9","0.2","173","10","173","10","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 N6 Ni3 O27 Tb2 -","- C54 H68 N6 Ni3 O27 Tb2 -","- C108 H136 N12 Ni6 O54 Tb4 -","2","1","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0516","0.0395","","","0.0957","0.1041","","","","","","1.037","","","","has coordinates","261607","2021-02-04","22:59:22",""
"7241538","12.6336","0.0015","11.8953","0.0014","28.764","0.004","90","","92.839","0.004","90","","4317.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N4 O40 Tb2 Zn8 -","- C62 H78 N4 O40 Tb2 Zn8 -","- C124 H156 N8 O80 Tb4 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0743","0.0584","","","0.1592","0.1728","","","","","","0.99","","","","has coordinates,has disorder","261607","2021-02-04","22:59:22",""
"7241541","13.353","0.003","10.6593","0.0016","13.978","0.003","90","","101.058","0.016","90","","1952.6","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 I2 N2 S2 -","- C16 H14 Cu2 I2 N2 S2 -","- C64 H56 Cu8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0469","0.0418","","","0.1066","0.1102","","","","","","1.004","","","","has coordinates","261621","2021-02-04","23:02:25",""
"7241542","8.7415","0.0004","17.1309","0.0008","13.1531","0.0006","90","","95.007","0.003","90","","1962.16","0.16","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Br3 Cu3 N5 S4 -","- C34 H31 Br3 Cu3 N5 S4 -","- C68 H62 Br6 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.13","0.1047","","","0.2592","0.2926","","","","","","1.035","","","","has coordinates","261621","2021-02-04","23:02:29",""
"7241543","13.306","0.003","10.4481","0.0012","13.639","0.003","90","","99.86","0.015","90","","1868.1","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 Cu2 N2 S2 -","- C16 H14 Br2 Cu2 N2 S2 -","- C64 H56 Br8 Cu8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0628","0.0526","","","0.1395","0.1473","","","","","","1.061","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241544","8.8353","0.0002","16.7129","0.0005","13.6256","0.0004","90","","99.427","0.002","90","","1984.83","0.1","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 Cu3 N6 S4 -","- C36 H34 Cl3 Cu3 N6 S4 -","- C72 H68 Cl6 Cu6 N12 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0697","0.0552","","","0.1542","0.1654","","","","","","1.032","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241545","19.2485","0.0011","16.5225","0.0008","21.3838","0.0011","90","","114.655","0.004","90","","6180.8","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cu2 I2 N2 S2 -","- C28 H22 Cu2 I2 N2 S2 -","- C224 H176 Cu16 I16 N16 S16 -","8","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.06","0.0557","","","0.1558","0.159","","","","","","1.09","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241546","10.3178","0.0004","15.5879","0.0011","21.9885","0.0008","90","","90","","90","","3536.5","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cu5 I5 N5 S2 -","- C22 H23 Cu5 I5 N5 S2 -","- C88 H92 Cu20 I20 N20 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0297","0.0252","","","0.0556","0.0566","","","","","","1.065","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241547","10.6426","0.0012","11.6334","0.0014","12.1551","0.0015","108.021","0.009","107.195","0.009","98.463","0.009","1319.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br2 Cu2 N2 S2 -","- C28 H22 Br2 Cu2 N2 S2 -","- C56 H44 Br4 Cu4 N4 S4 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0398","0.0309","","","0.0784","0.0822","","","","","","1.026","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241548","8.7179","0.0009","16.8411","0.0017","12.8872","0.0013","90","","94.018","0.008","90","","1887.4","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 Cu3 N5 S4 -","- C34 H31 Cl4 Cu3 N5 S4 -","- C68 H62 Cl8 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.042","0.0386","","","0.0998","0.1017","","","","","","1.058","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241549","9.372","0.0003","14.5073","0.0009","16.6745","0.0007","90","","98.533","0.003","90","","2242.01","0.18","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0666","0.0548","","","0.1369","0.1542","","","","","","1.153","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241550","13.3327","0.0008","11.2308","0.0004","13.8158","0.0008","90","","101.542","0.005","90","","2026.9","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ag2 I2 N2 S2 -","- C16 H14 Ag2 I2 N2 S2 -","- C64 H56 Ag8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0233","0.0194","","","0.0472","0.048","","","","","","1.074","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241556","23.6243","0.0003","7.4222","0.0001","15.1901","0.0002","90","","99.038","0.001","90","","2630.43","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F4 N4 O7 -","- C26 H23 Cl F4 N4 O7 -","- C104 H92 Cl4 F16 N16 O28 -","4","1","","Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation","CrystEngComm","2021","23","3","653","662","10.1039/D0CE01341B","","x-ray","1.54184","CuKα","","0.0481","0.0452","","","0.1197","0.1225","","","","","","1.045","","","","has coordinates,has disorder","261629","2021-02-04","23:04:42",""
"7241557","6.3151","0.0009","8.5815","0.0012","11.0306","0.0015","103.485","0.005","96.047","0.006","93.183","0.005","576.08","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0219","0.0213","","","0.0519","0.0524","","","","","","1.101","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241558","9.9907","0.0005","21.4967","0.0012","11.4868","0.0007","90","","103.673","0.002","90","","2397.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) tetramethylammonium iodide cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0182","0.0168","","","0.0399","0.0409","","","","","","1.113","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241559","6.9406","0.0006","20.4866","0.0016","8.7114","0.0007","90","","100.802","0.002","90","","1216.72","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C32 H24 F16 I10 N2 -","2","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0311","0.0262","","","0.0525","0.0553","","","","","","1.105","","","","has coordinates,has disorder","261615","2021-02-04","23:00:56",""
"7241560","10.04","0.0006","20.5136","0.001","12.0201","0.0007","90","","103.127","0.002","90","","2410.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.018","0.0154","","","0.0332","0.0347","","","","","","1.148","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241561","11.7588","0.001","14.0711","0.0014","24.608","0.003","90","","90","","90","","4071.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tris(1,4-diiodo-2,3,5,6-tetrafluorobenzene) bis(tetramethylammonium iodide) cocrystal","","","- C26 H24 F12 I8 N2 -","- C26 H24 F12 I8 N2 -","- C104 H96 F48 I32 N8 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0367","0.034","","","0.08","0.0818","","","","","","1.037","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241562","8.6391","0.0007","8.8169","0.0008","9.5619","0.0008","81.638","0.003","69.762","0.003","63.334","0.003","610.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,4-diiodo-2,3,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0199","0.0196","","","0.0559","0.056","","","","","","1.307","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241563","7.334","0.0002","21.8848","0.0007","11.0627","0.0003","90","","98.85","0.001","90","","1754.46","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3,5-trifluoro-2,4,6-triiodobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F3 I4 N -","- C10 H12 F3 I4 N -","- C40 H48 F12 I16 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0179","0.0166","","","0.038","0.0387","","","","","","1.114","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241564","22.6298","0.0011","6.9472","0.0003","7.9192","0.0004","90","","90","","90","","1245.01","0.1","150","2","150","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","bis(1,2-diiodo-3,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H14 F8 I5 N -","- C32 H28 F16 I10 N2 -","2","0.25","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0337","0.0238","","","0.0382","0.0402","","","","","","1.057","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241565","21.6106","0.0013","7.3407","0.0005","11.3729","0.0007","90","","90","","90","","1804.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(1,3,5-triiodo-2,4,6-trifluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C10 H12 F3 I4 N -","- C10 H13 F3 I4 N -","- C40 H52 F12 I16 N4 -","4","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0211","0.0196","","","0.0467","0.0471","","","","","","1.281","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241566","7.5414","0.0014","22.618","0.004","9.2445","0.0018","90","","96.641","0.006","90","","1566.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-diiodo-3,4,5,6-tetrafluorobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F4 I3 N -","- C10 H12 F4 I3 N -","- C40 H48 F16 I12 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0229","0.019","","","0.0431","0.0454","","","","","","1.124","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241579","10.4053","0.0002","32.028","0.0006","10.37836","0.00018","90","","93.2313","0.0018","90","","3453.2","0.11","136","1","136","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C45 H30 N4 -","- C45 H30 N4 -","- C180 H120 N16 -","4","1","","Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong","Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli","CrystEngComm","2021","23","1","202","209","10.1039/D0CE01539C","","x-ray","1.54184","CuKα","","0.0688","0.0634","","","0.169","0.1778","","","","","","1.065","","","","has coordinates","261593","2021-02-04","22:56:43",""
"7241580","4.472","0.0002","15.3544","0.0005","13.1342","0.0004","90","","97.953","0.002","90","","893.18","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0533","0.0476","","","0.1183","0.1213","","","","","","1.173","","","","has coordinates","261617","2021-02-04","23:01:31",""
"7241581","20.7314","0.0007","9.6579","0.0003","10.6217","0.0004","90","","92.531","0.002","90","","2124.62","0.13","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl N8 Na O10 -","- C14 H20 Cl N8 Na O10 -","- C56 H80 Cl4 N32 Na4 O40 -","4","0.5","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0379","0.0325","","","0.0908","0.0951","","","","","","1.044","","","","has coordinates,has disorder","261617","2021-02-04","23:01:35",""
"7241582","9.3613","0.0004","7.0465","0.0003","14.5134","0.0007","90","","103.023","0.002","90","","932.74","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N6 O4 -","- C19 H20 N6 O4 -","- C38 H40 N12 O8 -","2","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0539","0.0374","","","0.0812","0.087","","","","","","1.022","","","","has coordinates","261617","2021-02-04","23:01:45",""
"7241583","9.2408","0.0012","9.508","0.0013","12.6724","0.0018","90","","91.446","0.002","90","","1113.1","0.3","296","2","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H22 N4 O5 Zn -","- C20 H22 N4 O5 Zn -","- C40 H44 N8 O10 Zn2 -","2","0.5","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","","0.71073","MoKα","","0.0764","0.0475","","","0.1183","0.1324","","","","","","1.033","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241584","14.2908","0.0005","15.7878","0.0005","18.8266","0.0007","97.294","0.003","92.079","0.003","109.017","0.003","3969.7","0.3","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H69 Cd3 N7 O15 -","- C75 H69 Cd3 N7 O15 -","- C150 H138 Cd6 N14 O30 -","2","1","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","x-ray","1.54184","CuKα","","0.1034","0.0793","","","0.2047","0.232","","","","","","0.983","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241590","5.2267","0.0002","28.5292","0.0012","10.3735","0.0005","90","","93.071","0.003","90","","1544.61","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0667","0.051","","","0.1176","0.1254","","","","","","1.045","","","","has coordinates","261589","2021-02-04","22:55:57",""
"7241591","9.8518","0.0004","10.2278","0.0004","15.3791","0.0004","76.292","0.002","88.604","0.002","72.362","0.001","1432.83","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 F N2 O2 -","- C38 H33 F N2 O2 -","- C76 H66 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0325","0.0315","","","0.087","0.0879","","","","","","1.073","","","","has coordinates","261589","2021-02-04","22:56:00",""
"7241592","9.8905","0.0005","10.1651","0.0004","16.7066","0.0007","104.665","0.002","94.546","0.002","106.011","0.002","1541.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0522","0.0379","","","0.09","0.0986","","","","","","1.022","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241593","9.8313","0.0003","10.266","0.0003","15.7098","0.0005","101.103","0.001","92.295","0.001","106.83","0.001","1481.47","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H33 N3 O4 -","- C38 H33 N3 O4 -","- C76 H66 N6 O8 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.053","0.0471","","","0.1343","0.1403","","","","","","1.085","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241594","9.9188","0.0006","10.2275","0.0006","15.9392","0.0009","102.789","0.002","93.699","0.002","106.801","0.002","1495.16","0.15","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H32 Br F N2 O2 -","- C38 H32 Br F N2 O2 -","- C76 H64 Br2 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.0228","0.0222","","","0.0571","0.0576","","","","","","1.039","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241595","9.9304","0.0009","10.2239","0.0009","15.3905","0.0014","74.356","0.008","86.699","0.008","72.907","0.008","1437.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0864","0.0562","","","0.1122","0.1271","","","","","","1.041","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241596","10.2165","0.0005","30.0352","0.0015","57.342","0.003","89.578","0.003","87.451","0.002","80.285","0.002","17326.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O -","- C19 H17 N O -","- C912 H816 N48 O48 -","48","24","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.1744","0.1222","","","0.3672","0.4119","","","","","","1.416","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241597","5.896","0.0012","8.913","0.0018","36.162","0.007","90","","90","","90","","1900.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 -","- C23 H22 F N3 -","- C92 H88 F4 N12 -","4","1","","Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection","CrystEngComm","2021","23","1","221","226","10.1039/D0CE01195A","","","0.71073","MoKα","","0.0759","0.0552","","","0.1056","0.1131","","","","","","1.124","","","","has coordinates","261591","2021-02-04","22:56:28",""
"7241598","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261595","2021-02-04","22:57:03",""
"7241599","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7241604","12.7125","0.0006","8.0135","0.0003","12.9098","0.0006","90","","91.92","0.002","90","","1314.4","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","colchicine","","- C28 H31 N O9 S -","- C28 H31 N O9 S -","- C56 H62 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0524","0.0406","","","0.0911","0.1","","","","","","1.08","","","","has coordinates","261584","2021-02-04","22:53:16",""
"7241605","9.2402","0.0004","31.6946","0.0017","6.4645","0.0003","90","","101.052","0.002","90","","1858.11","0.15","180","","180","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.04","0.0345","","","0.069","0.0713","","","","","","1.066","","","","has coordinates","261584","2021-02-04","22:53:22",""
"7241606","7.825","0.002","16.685","0.005","21.993","0.006","90","","90","","90","","2871.4","1.4","220","","220","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","colchicine","","- C32 H33 N O9 S -","- C32 H33 N O9 S -","- C128 H132 N4 O36 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1094","0.0524","","","0.0944","0.116","","","","","","1.015","","","","has coordinates","261584","2021-02-04","22:54:02",""
"7241607","12.858","0.003","8.1256","0.0019","13.356","0.003","90","","91.313","0.007","90","","1395.1","0.6","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","colchicine","Colchicine-AII2","","- C29 H33 N O9 S -","- C29 H33 N O9 S -","- C58 H66 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1155","0.0542","","","0.097","0.1199","","","","","","0.937","","","","has coordinates","261584","2021-02-04","22:54:05",""
"7241608","6.6868","0.0002","31.6978","0.0011","7.7242","0.0003","90","","93.655","0.001","90","","1633.87","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 S -","- C17 H20 O5 S -","- C68 H80 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0688","0.0446","","","0.0989","0.114","","","","","","1.06","","","","has coordinates","261584","2021-02-04","22:54:07",""
"7241609","6.8451","0.0003","9.0199","0.0004","12.2623","0.0006","81.489","0.002","78.81","0.002","70.464","0.001","697.12","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","hinokitiol","","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0842","0.0507","","","0.1121","0.1358","","","","","","1.034","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241610","6.988","0.0002","30.2686","0.0008","6.251","0.0002","90","","90","","90","","1322.19","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","tropolone","","- C14 H14 O5 S -","- C14 H14 O5 S -","- C56 H56 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0446","0.0413","","","0.0953","0.0975","","","","","","1.041","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241611","7.0583","0.0002","8.1581","0.0003","10.068","0.0003","102.65","0.001","104.172","0.001","90.598","0.001","547.19","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","tropolone","","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0371","0.033","","","0.0782","0.0815","","","","","","1.081","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241612","9.5417","0.0004","10.8327","0.0003","12.7884","0.0005","90","","101.427","0.001","90","","1295.64","0.08","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0506","0.0371","","","0.089","0.0982","","","","","","1.047","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241613","13.829","0.004","10.484","0.004","15.998","0.005","90","","110.885","0.006","90","","2167","1.2","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O15 -","- C44 H56 N2 O15 -","- C88 H112 N4 O30 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1701","0.076","","","0.1676","0.2126","","","","","","0.958","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241614","15.4803","0.0005","12.7831","0.0004","12.1312","0.0005","90","","91.739","0.001","90","","2399.49","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropone","","- C24 H24 O10 S2 -","- C24 H24 O10 S2 -","- C96 H96 O40 S8 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0623","0.0448","","","0.0987","0.1096","","","","","","1.027","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241615","6.7177","0.0011","16.233","0.003","14.53","0.003","90","","98.666","0.005","90","","1566.4","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tropone","","- C17 H16 O5 S -","- C17 H16 O5 S -","- C68 H64 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1204","0.0688","","","0.1283","0.149","","","","","","1.047","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241616","6.7888","0.0004","20.096","0.0012","13.5491","0.0008","90","","102.749","0.002","90","","1802.9","0.19","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropolone","","- C17 H20 O8 S -","- C17 H20 O8 S -","- C68 H80 O32 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1","0.072","","","0.1395","0.1493","","","","","","1.159","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241617","7.0962","0.0014","9.651","0.0019","11.031","0.002","80.82","0.03","77.59","0.03","88.31","0.03","728.4","0.3","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl N O7 -","- C12 H16 Cl N O7 -","- C24 H32 Cl2 N2 O14 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0774","0.0507","","","0.1222","0.1378","","","","","","1.057","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241618","6.9834","0.0014","7.8322","0.0016","16.383","0.003","79.08","0.03","86.83","0.03","83.81","0.03","874.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C36 H40 Cl2 N2 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0576","0.0413","","","0.1011","0.1089","","","","","","1.038","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241619","7.4548","0.0015","13.856","0.003","14.684","0.003","81.27","0.03","81.44","0.03","80.5","0.03","1466.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cl5 N O9 -","- C26 H26 Cl5 N O9 -","- C52 H52 Cl10 N2 O18 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0621","0.0374","","","0.0806","0.0906","","","","","","1.023","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241620","5.9469","0.0012","12.127","0.002","20.466","0.004","101.74","0.03","92","0.03","101.56","0.03","1411.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O5 -","- C27 H35 Cl2 N3 O5 -","- C54 H70 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0582","0.039","","","0.0887","0.098","","","","","","1.033","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241621","14.01","0.003","17.797","0.004","7.0663","0.0014","90","","91.43","0.03","90","","1761.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N O6 -","- C17 H20 Cl N O6 -","- C68 H80 Cl4 N4 O24 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0785","0.0451","","","0.0946","0.1073","","","","","","1.031","","","","has coordinates,has disorder","261598","2021-02-04","22:57:40",""
"7241622","5.9277","0.0012","12.15","0.002","19.491","0.004","88.49","0.03","86.58","0.03","77.1","0.03","1365.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N3 O5 -","- C26 H33 Cl2 N3 O5 -","- C52 H66 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0674","0.0431","","","0.0946","0.106","","","","","","1.024","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241623","15.699","0.003","8.7459","0.0017","14.834","0.003","90","","106.08","0.03","90","","1957.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N O5 -","- C18 H18 Cl3 N O5 -","- C72 H72 Cl12 N4 O20 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0416","0.0331","","","0.0813","0.0862","","","","","","1.035","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241635","13.8569","0.0003","4.8751","0.0001","18.186","0.0004","90","","98.164","0.002","90","","1216.08","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.048","0.042","","","0.1202","0.124","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241636","13.8433","0.0012","11.6707","0.0008","8.3343","0.0007","90","","100.376","0.007","90","","1324.48","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.1142","0.0767","","","0.222","0.2996","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241637","6.8111","0.0003","7.3881","0.0003","27.5932","0.001","90","","90","","90","","1388.52","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0808","0.042","","","0.0923","0.1083","","","","","","1.015","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241638","8.2453","0.0002","9.1188","0.0003","11.2435","0.0004","77.692","0.002","86.278","0.002","86.449","0.002","823.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.058","0.0437","","","0.117","0.1289","","","","","","1.04","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241639","7.8029","0.0005","10.6573","0.0005","10.8703","0.0005","115.74","0.004","99.231","0.003","103.722","0.004","754.32","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0993","0.0505","","","0.108","0.1226","","","","","","0.969","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241640","9.5709","0.0003","9.7281","0.0003","11.5654","0.0003","72.921","0.003","79.751","0.003","68.981","0.003","957.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","1","0.5","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.092","0.0667","","","0.203","0.2267","","","","","","1.096","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241641","4.9595","0.0015","7.185","0.003","7.507","0.003","90","","91.847","0.01","90","","267.37","0.17","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","1","0.25","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0574","0.0479","","","0.123","0.1288","","","","","","1.093","","","","has coordinates","261616","2021-02-04","23:01:06",""
"7241642","8.168","0.0006","9.1913","0.0006","12.2517","0.0008","100.972","0.006","106.036","0.006","90.602","0.006","865.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H36 B2 N2 O -","- C13 H36 B2 N2 O -","- C26 H72 B4 N4 O2 -","2","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","1.54184","CuKα","","0.0539","0.0459","","","0.1223","0.1306","","","","","","1.047","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241643","7.7493","0.0012","10.0768","0.0015","8.8384","0.0015","90","","103.921","0.01","90","","669.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1489","0.0741","","","0.1442","0.174","","","","","","1.043","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241644","11.479","0.002","11.37","0.002","8.0519","0.0013","90","","107.516","0.004","90","","1002.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B2 N2 -","- C6 H22 B2 N2 -","- C24 H88 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1589","0.063","","","0.1115","0.143","","","","","","1.019","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241645","8.847","0.002","9.433","0.003","10.103","0.003","116.645","0.012","107.265","0.012","95.625","0.013","692.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","1","0.5","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0862","0.0457","","","0.0999","0.1231","","","","","","1.035","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241646","13.4684","0.0005","13.4684","0.0005","8.2997","0.0006","90","","90","","90","","1505.55","0.13","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0411","0.0351","","","0.1015","0.1106","","","","","","0.652","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241647","21.6","0.002","9.1048","0.0008","7.4175","0.0006","90","","103.733","0.003","90","","1417.1","0.2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0547","0.0411","","","0.1044","0.111","","","","","","1.042","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241712","16.5183","0.0003","16.5183","0.0003","13.6408","0.0003","90","","90","","120","","3223.3","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Ce0.7 Cs0.3 P S4 -","- Ca0.3 Ce0.7 Cs0.300167 P S4 -","- Ca5.4 Ce12.6 Cs5.403 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0388","0.0387","","","0.1094","0.1095","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:23",""
"7241713","9.2095","0.0002","9.2341","0.0002","16.7221","0.0004","90","","103.946","0.0008","90","","1380.15","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca4 Cs4 P8 Pr4 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0287","0.0267","","","0.0631","0.0642","","","","","","1.116","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241714","16.4128","0.0003","16.4128","0.0003","13.4526","0.0003","90","","90","","120","","3138.36","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Sm0.7 -","- Ca0.3 Cs0.300167 P S4 Sm0.7 -","- Ca5.4 Cs5.403 P18 S72 Sm12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0352","0.0343","","","0.1061","0.1075","","","","","","0.98","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241715","16.4968","0.0004","16.4968","0.0004","13.5795","0.0003","90","","90","","120","","3200.47","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P Pr0.7 S4 -","- Ca0.3 Cs0.300167 P Pr0.7 S4 -","- Ca5.4 Cs5.403 P18 Pr12.6 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0327","","","0.0859","0.0859","","","","","","1.085","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241716","16.3458","0.0003","16.3458","0.0003","13.4242","0.0003","90","","90","","120","","3106.21","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca5.4 Cs5.4 Gd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0323","0.0323","","","0.091","0.091","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241717","9.1603","0.0002","9.1898","0.0002","16.6882","0.0004","90","","103.687","0.0008","90","","1364.94","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca4 Cs4 Gd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0192","0.019","","","0.0403","0.0404","","","","","","1.039","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241718","9.197","0.0002","9.2233","0.0002","16.7149","0.0004","90","","103.871","0.0008","90","","1376.52","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca4 Cs4 Nd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0259","0.025","","","0.0661","0.0668","","","","","","1.109","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241719","9.1378","0.0002","9.1727","0.0002","16.6704","0.0004","90","","103.678","0.0008","90","","1357.66","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca4 Cs4 Dy4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0238","0.0237","","","0.0521","0.0522","","","","","","1.086","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241720","9.1479","0.0004","9.18","0.0004","16.6874","0.0007","90","","103.688","0.0015","90","","1361.57","0.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca4 Cs4 P8 S32 Tb4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0313","0.0311","","","0.0743","0.0744","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241721","16.3288","0.0004","16.3288","0.0004","13.322","0.0004","90","","90","","120","","3076.16","0.14","301","2","301.39","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Dy0.7 P S4 -","- Ca0.3 Cs0.300167 Dy0.7 P S4 -","- Ca5.4 Cs5.403 Dy12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0311","","","0.0876","0.0897","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241722","16.3448","0.0004","16.3448","0.0004","13.3425","0.0003","90","","90","","120","","3086.93","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca5.4 Cs5.4 P18 S72 Tb12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0298","0.0298","","","0.0878","0.0878","","","","","","1.126","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241723","9.1778","0.0003","9.2037","0.0003","16.6857","0.0005","90","","103.778","0.0013","90","","1368.88","0.08","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca4 Cs4 P8 S32 Sm4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0247","0.0231","","","0.0526","0.0534","","","","","","1.098","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241724","16.4932","0.0004","16.4932","0.0004","13.5289","0.0003","90","","90","","120","","3187.15","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Nd0.7 P S4 -","- Ca0.3 Cs0.300333 Nd0.7 P S4 -","- Ca5.4 Cs5.406 Nd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0332","0.033","","","0.0922","0.0924","","","","","","1.161","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241725","10.54","0.005","14.07","0.005","15.113","0.005","110.556","0.005","106.367","0.005","102.044","0.005","1891.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C56 H48 Ca2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.114","0.0563","","","0.1517","0.1726","","","","","","1.011","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241726","10.714","0.005","14.407","0.005","15.63","0.005","65.529","0.005","73.674","0.005","86.24","0.005","2103.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0559","0.0437","","","0.1189","0.1247","","","","","","1.024","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241727","10.77","0.005","14.128","0.005","15.073","0.005","110.391","0.005","107.23","0.005","101.991","0.005","1925.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0743","0.0464","","","0.114","0.1228","","","","","","1.021","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241728","11.244","0.0006","13.9869","0.0008","14.8283","0.0008","109.442","0.002","111.672","0.002","99.695","0.002","1927.38","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ba N12 O17 S2 -","- C28 H24 Ba N12 O17 S2 -","- C56 H48 Ba2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0763","0.0698","","","0.1878","0.1953","","","","","","1.036","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241729","16.623","0.004","10.715","0.002","25.723","0.006","90","","90.124","0.004","90","","4581.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C112 H96 N48 O68 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0968","0.0649","","","0.1783","0.1955","","","","","","1.048","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241730","16.5541","0.0013","10.4598","0.0008","25.6563","0.0019","90","","90.83","0.003","90","","4442","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C112 H96 Ca4 N48 O68 S8 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0745","0.0667","","","0.1923","0.1996","","","","","","1.033","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241731","27.899","0.003","15.2073","0.0016","39.875","0.005","90","","106.296","0.002","90","","16238","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Ba2 N24 O30 S4 -","- C56 H48 Ba2 N24 O30 S4 -","- C448 H384 Ba16 N192 O240 S32 -","8","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0616","0.0476","","","0.1157","0.1227","","","","","","1.015","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241732","25.565","0.003","31.743","0.003","10.3985","0.0011","90","","90","","90","","8438.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H47 Ca2 N24 O34 S4 -","- C56 H47 Ca2 N24 O34 S4 -","- C224 H188 Ca8 N96 O136 S16 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0639","0.06","","","0.1598","0.1629","","","","","","1.034","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241733","12.604","0.005","16.258","0.005","31.463","0.005","90","","97.344","0.005","90","","6394","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N24 O23 S2 Sr -","- C46 H42 N24 O23 S2 Sr -","- C184 H168 N96 O92 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0908","0.0592","","","0.1593","0.1729","","","","","","1.032","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241734","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.029","0.025","","","","0.048","0.037","","","","","1.023","","","","has coordinates","261606","2021-02-04","22:59:04",""
"7241735","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.0377","0.0352","","","0.0864","0.0882","","","","","","1.12","","","","has coordinates","261606","2021-02-04","22:59:07",""
"7241741","14.329","0.0009","5.8217","0.0004","18.5725","0.0012","90","","93.903","0.002","90","","1545.71","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","1","0.5","","Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh","A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand","CrystEngComm","2021","23","4","824","830","10.1039/D0CE01517B","","","0.71073","MoKα","","0.0551","0.0387","","","0.0571","0.0628","","","","","","1.067","","","","has coordinates","261609","2021-02-04","22:59:31",""
"7241748","12.46","0.014","10.231","0.01","18.54","0.02","90","","92.34","0.02","90","","2361","4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CUST-531","","- C25 H21 Cd N4 O5 -","- C25 H21 Cd N4 O5 -","- C100 H84 Cd4 N16 O20 -","4","1","","Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li","2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level","CrystEngComm","2021","23","4","929","934","10.1039/D0CE01581D","","","0.71073","MoKα","","0.0891","0.0566","","","0.1465","0.1673","","","","","","1.05","","","","has coordinates","261605","2021-02-04","22:58:57",""
"7241749","10.6427","0.0008","20.2187","0.0015","18.7795","0.0014","90","","93.18","0.001","90","","4034.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C141.6 H76 Cd12 N5.6 O64 S16 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0574","0.0459","","","0.1061","0.1107","","","","","","1.126","","","","has coordinates","261612","2021-02-04","23:00:18",""
"7241750","13.2067","0.0016","15.497","0.0018","16.513","0.002","90","","108.694","0.002","90","","3201.3","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 Cd2 N2 O13 -","- C30 H22 Cd2 N2 O13 -","- C120 H88 Cd8 N8 O52 -","4","1","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0297","0.0284","","","0.0697","0.0704","","","","","","1.006","","","","has coordinates","261612","2021-02-04","23:00:19",""
"7241751","33.1757","0.0004","33.1757","0.0004","10.5521","0.0002","90","","90","","90","","11613.9","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H14 Ca2 O9 -","- C8 H14 Ca2 O9 -","- C256 H448 Ca64 O288 -","32","1","","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W.","The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips","CrystEngComm","2021","23","3","707","713","10.1039/D0CE01590C","","x-ray","1.54184","CuKα","","0.0334","0.0293","","","0.0794","0.0829","","","","","","1.18","","","","has coordinates,has disorder","261630","2021-02-04","23:04:49",""
"7241758","18.2863","0.0011","11.3902","0.0006","30.447","0.002","90","","106.745","0.002","90","","6072.7","0.6","150","2","149.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N8 O2 Zn -","- C36 H26 N8 O2 Zn -","- C288 H208 N64 O16 Zn8 -","8","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0447","0.0341","","","0.0842","0.088","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241759","3.8464","0.0001","11.0679","0.0003","35.2718","0.0009","90","","91.812","0.001","90","","1500.83","0.07","150","2","149.97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0562","0.046","","","0.1096","0.1155","","","","","","1.062","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241760","8.1129","0.0005","14.5881","0.0008","15.9877","0.0009","90","","93.22","0.002","90","","1889.19","0.19","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd Cl2 N5 O -","- C18 H15 Cd Cl2 N5 O -","- C72 H60 Cd4 Cl8 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0269","0.0189","","","0.0435","0.0456","","","","","","1.025","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241761","15.3928","0.001","10.6783","0.0007","19.4846","0.0012","90","","96.349","0.002","90","","3183","0.4","295","2","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd N8 O2 -","- C36 H26 Cd N8 O2 -","- C144 H104 Cd4 N32 O8 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0299","0.0278","","","0.0674","0.0688","","","","","","1.05","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241762","29.63","0.002","29.63","0.002","8.9973","0.0007","90","","90","","90","","7899.1","1","150","2","149.98","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H36 Cd2 N8 O8 -","- C40 H36 Cd2 N8 O8 -","- C320 H288 Cd16 N64 O64 -","8","0.5","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0449","0.0355","","","0.0859","0.0888","","","","","","1.095","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241763","13.4129","0.0008","18.8966","0.0012","15.1602","0.0009","90","","113.177","0.002","90","","3532.4","0.4","121","2","120.78","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N12 O8 Zn -","- C36 H30 N12 O8 Zn -","- C144 H120 N48 O32 Zn4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0533","0.0338","","","0.0744","0.0794","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241765","24.878","0.004","6.8029","0.0013","20.937","0.004","90","","114.088","0.009","90","","3234.9","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.1334","0.0767","","","0.1958","0.2158","","","","","","1.083","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241766","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","261626","2021-02-04","23:03:27",""
"7241767","14.9264","0.0012","11.4332","0.0009","10.9861","0.0008","90","","107.745","0.004","90","","1785.6","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B F2 I N3 -","- C18 H17 B F2 I N3 -","- C72 H68 B4 F8 I4 N12 -","4","1","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0345","0.029","","","0.0736","0.0769","","","","","","1.045","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241768","17.217","0.003","11.2747","0.0018","16.415","0.003","90","","117.459","0.003","90","","2827.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O10 -","- C64 H68 Cl4 N4 O10 -","- C128 H136 Cl8 N8 O20 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0337","0.0312","","","0.0892","0.0998","","","","","","1.15","","","","has coordinates","261613","2021-02-04","23:00:33",""
"7241769","17.1722","0.0016","11.3008","0.001","16.1727","0.0015","90","","117.16","0.002","90","","2792.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O7 -","- C64 H68 Cl4 N4 O7 -","- C128 H136 Cl8 N8 O14 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0541","0.0463","","","0.1454","0.1665","","","","","","1.154","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241770","16.524","0.0014","13.9309","0.0012","11.3445","0.0009","90","","107.39","0.003","90","","2492.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl4 N4 O4 -","- C60 H54 Cl4 N4 O4 -","- C120 H108 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.071","0.0643","","","0.1706","0.1824","","","","","","1.07","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241771","13.6415","0.0017","11.1851","0.0014","32.017","0.004","90","","90","","90","","4885.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H52 Cl4 N4 O4 -","- C59 H52 Cl4 N4 O4 -","- C236 H208 Cl16 N16 O16 -","4","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0737","0.0631","","","0.1729","0.1887","","","","","","1.288","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241772","16.397","0.004","13.84","0.003","11.647","0.003","90","","108.793","0.003","90","","2502.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl8 N4 O4 -","- C54 H48 Cl8 N4 O4 -","- C108 H96 Cl16 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","0.71073","MoKα","","0.0983","0.0552","","","0.148","0.1754","","","","","","1.037","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241773","11.8817","0.0005","13.9512","0.0006","30.8666","0.0013","90","","90","","90","","5116.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H46 Cl10 N4 O4 -","- C54 H46 Cl10 N4 O4 -","- C216 H184 Cl40 N16 O16 -","4","1","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.1019","0.0584","","","0.1336","0.1537","","","","","","1.03","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241774","23.896","0.008","4.9911","0.0017","13.723","0.004","90","","102.782","0.012","90","","1596.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N'-[(E)-(2-propoxyphenyl)methylidene]benzohydrazide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1123","0.0581","","","0.1165","0.1382","","","","","","1.008","","","","has coordinates","261604","2021-02-04","22:58:52",""
"7241775","9.695","0.008","24.699","0.009","9.476","0.007","90","","90","","90","","2269","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N'-(4-(?nyloxy)benzylidene)-2-phenylacetohydrazide","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1398","0.0542","","","0.1035","0.1303","","","","","","1.005","","","","has coordinates","287885","2023-11-30","13:18:06",""
"7241776","12.2984","0.0006","13.0766","0.0007","13.096","0.0007","74.6019","0.0008","67.9382","0.0008","87.6692","0.0008","1877.72","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0729","0.0396","","","0.0905","0.1048","","","","","","1.011","","","","has coordinates,has disorder","261602","2021-02-04","22:58:37",""
"7241777","12.311","0.0007","13.0867","0.0007","13.1261","0.0007","74.639","0.0009","67.9332","0.0008","87.7934","0.0009","1885.41","0.18","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0895","0.0431","","","0.0983","0.1235","","","","","","1.001","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241778","6.5823","0.0017","11.601","0.003","13.001","0.003","91.653","0.004","103.841","0.004","99.765","0.005","947.5","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1069","0.0464","","","0.0777","0.0982","","","","","","0.929","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241779","12.2327","0.0007","13.0214","0.0007","13.0009","0.0007","74.4145","0.0018","68.2545","0.0017","87.4839","0.0018","1849.19","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1059","0.048","","","0.0941","0.1178","","","","","","1.025","","","","has coordinates","261602","2021-02-04","22:58:41",""
"7241780","6.608","0.002","11.633","0.003","13.025","0.005","91.803","0.008","104.018","0.006","99.843","0.017","954.3","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.063","0.0395","","","0.0869","0.0996","","","","","","1.044","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241781","12.3254","0.0009","13.0852","0.0009","13.141","0.0009","74.6086","0.0012","68.004","0.0012","87.9267","0.0012","1889.9","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.174","0.0564","","","0.0819","0.1114","","","","","","1.017","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241782","6.5859","0.0003","11.5949","0.0005","13.0118","0.0006","91.61","0.002","103.887","0.002","99.737","0.002","948.23","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0556","0.0383","","","0.082","0.0916","","","","","","1.013","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241783","12.3144","0.0009","13.0777","0.0009","13.1092","0.0009","74.5741","0.0012","68.0058","0.0011","87.79","0.0012","1882.6","0.2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1581","0.0534","","","0.0889","0.1232","","","","","","0.914","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241784","16.1282","0.0012","8.4944","0.0006","16.6337","0.0012","90","","105.159","0.002","90","","2199.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Eu O11 -","- C23 H20 Eu O11 -","- C92 H80 Eu4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0379","0.0295","","","0.0741","0.0759","","","","","","1.013","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241785","16.089","0.003","8.4482","0.0014","16.397","0.003","90","","105.373","0.005","90","","2149","0.7","150","2","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Dy O11 -","- C23 H20 Dy O11 -","- C92 H80 Dy4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0254","0.0219","","","0.0474","0.0491","","","","","","1.093","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241786","16.108","0.003","8.4565","0.0017","16.414","0.003","90","","105.37","0.006","90","","2155.9","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tb","","- C23 H20 O11 Tb -","- C23 H20 O11 Tb -","- C92 H80 O44 Tb4 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0192","0.0169","","","0.0391","0.04","","","","","","1.079","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241791","28.8613","0.0002","28.8613","0.0002","47.8704","0.0004","90","","90","","120","","34532.6","0.4","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H21 N4 O16 Sc3 -","- C40 H20 N4 O16 Sc3 -","- C720 H360 N72 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0667","0.0559","","","0.1613","0.1701","","","","","","1.031","","","","has coordinates","261611","2021-02-04","23:00:10",""
"7241792","28.817","0.0007","28.817","0.0007","47.9423","0.0007","90","","90","","120","","34478.4","1.3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H20 N5 O18 Sc3 -","- C40 H19 N5 O18 Sc3 -","- C720 H342 N90 O324 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.1046","0.0653","","","0.184","0.2103","","","","","","1.008","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241793","28.8727","0.0019","28.8727","0.0019","47.845","0.003","90","","90","","120","","34542","4","173","","173","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H22 N5 O16 Sc3 -","- C40 H21 N5 O16 Sc3 -","- C720 H378 N90 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0665","0.0566","","","0.1736","0.1842","","","","","","1.076","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241794","31.808","0.0016","31.808","0.0016","16.9754","0.0008","90","","90","","120","","14873.8","1.3","173","","173","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C58 H38 N O16 Sc3 -","- C58 H38 N O16 Sc3 -","- C348 H228 N6 O96 Sc18 -","6","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0414","0.0405","","","0.1114","0.1124","","","","","","1.037","","","","has coordinates","261611","2021-02-04","23:00:11",""
"7241795","28.7845","0.0015","28.7845","0.0015","48.405","0.003","90","","90","","120","","34733","3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C42.67 H23.67 N1.33 O16 Sc3 -","- C42.6667 H22.6667 N1.3333 O16 Sc3 -","- C768.001 H408.001 N23.9994 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54184","CuKα","","0.224","0.1208","","","0.3273","0.4338","","","","","","0.919","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241796","6.28","0.0013","11.263","0.002","13.232","0.003","100.71","0.03","96.26","0.03","96.09","0.03","906.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0492","0.0481","","","0.1332","0.1344","","","","","","1.07","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241797","6.3","0.0013","15.21","0.003","17.39","0.004","112.89","0.03","91.22","0.03","93.74","0.03","1529.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1191","0.1015","","","0.2749","0.2934","","","","","","1.077","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241798","8.2759","0.0002","11.7985","0.0002","13.6442","0.0003","85.64","0.002","75.452","0.002","86.886","0.002","1284.96","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H70 N3 O17.5 -","- C49 H63 N3 O17.5 -","- C49 H63 N3 O17.5 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","x-ray","1.54184","CuKα","","0.0871","0.078","","","0.2317","0.2445","","","","","","1.075","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241799","7.67","0.0002","8.6982","0.0003","16.1026","0.0003","97.309","0.002","100.27","0.002","113.335","0.003","947.06","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0587","0.046","","","0.1251","0.1331","","","","","","1.066","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241800","33.9304","0.0005","12.9471","0.0002","11.1617","0.0002","90","","91.193","0.001","90","","4902.28","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Cd2 N3 O11 -","- C50 H55 Cd2 N3 O11 -","- C200 H220 Cd8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0498","0.0443","","","0.1199","0.124","","","","","","1.053","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241801","26.397","0.005","11.976","0.002","29.443","0.006","90","","97.51","0.03","90","","9228","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd2 N2 O8 -","- C62 H50 Cd2 N2 O8 -","- C248 H200 Cd8 N8 O32 -","4","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.95372","Synchrotron","","0.1289","0.1017","","","0.2892","0.3192","","","","","","1.079","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241802","34.247","0.007","13.083","0.003","10.812","0.002","90","","91.17","0.03","90","","4843.3","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Mn2 N3 O11 -","- C50 H55 Mn2 N3 O11 -","- C200 H220 Mn8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0963","0.0733","","","0.2167","0.2449","","","","","","1.05","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241803","9.469","0.0019","10.395","0.002","10.692","0.002","98.87","0.03","96.95","0.03","96.11","0.03","1023.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0288","0.0281","","","0.0721","0.0726","","","","","","1.125","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241804","7.61","0.0015","8.14","0.0016","19.08","0.004","92.58","0.03","97.1","0.03","97.29","0.03","1161.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0679","0.0662","","","0.1874","0.1899","","","","","","1.054","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241805","10.508","0.002","14.186","0.003","14.263","0.003","111.15","0.03","97.39","0.03","90.01","0.03","1964","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 N3.5 Na O9.5 Zn -","- C41.5 H42 N3.5 Na O9.5 Zn -","- C83 H84 N7 Na2 O19 Zn2 -","2","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1048","0.0853","","","0.2361","0.2662","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241806","22.93","0.005","17.33","0.004","8.03","0.0016","90","","95.24","0.03","90","","3177.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cd2 N4 O14 -","- C68 H72 Cd2 N4 O14 -","- C136 H144 Cd4 N8 O28 -","2","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710757","Synchrotron","","0.0371","0.032","","","0.0808","0.0839","","","","","","1.061","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241807","20.8995","0.0002","21.0392","0.0002","32.8802","0.0003","90","","94.498","0.001","90","","14413.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C346 H394 N30 O94 Zn20 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0723","0.0662","","","0.2134","0.2197","","","","","","1.081","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241808","12.159","0.002","31.183","0.006","12.689","0.003","90","","90","","90","","4811.1","1.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H44 Cu2 N2 O10 -","- C46 H40 Cu2 N2 O10 -","- C184 H160 Cu8 N8 O40 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.2624","0.1657","","","0.4227","0.4812","","","","","","1.309","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241809","20.898","0.004","21.113","0.004","32.881","0.007","90","","95.06","0.03","90","","14451","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C322 H338 Co20 N22 O86 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1368","0.1","","","0.3111","0.352","","","","","","1.255","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241810","23.24","0.005","30.59","0.006","33.17","0.007","74.89","0.03","77.68","0.03","86.47","0.03","22241","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N2 O8.67 Zn2.67 -","- C62 H50 N2 O8.66667 Zn2.66667 -","- C372 H300 N12 O52 Zn16 -","6","3","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1579","0.1349","","","0.3863","0.4179","","","","","","1.794","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241811","6.196","0.0012","14.364","0.003","15.756","0.003","79.97","0.03","79.48","0.03","80.88","0.03","1346","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0947","0.0846","","","0.2479","0.2613","","","","","","1.091","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241812","16.386","0.003","11.425","0.002","26.726","0.005","90","","100.53","0.03","90","","4919.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu N2 O5 -","- C22 H24 Cu N2 O5 -","- C176 H192 Cu8 N16 O40 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710877","Synchrotron","","0.1717","0.1425","","","0.3401","0.373","","","","","","1.135","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241813","37.413","0.008","12.588","0.003","11.684","0.002","90","","103.43","0.03","90","","5352","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 N4 O10 Zn2 -","- C51 H52 N4 O10 Zn2 -","- C204 H208 N16 O40 Zn8 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710752","Synchrotron","","0.1071","0.0991","","","0.2857","0.2965","","","","","","1.286","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241814","32.349","0.007","12.005","0.002","26.75","0.005","90","","100.76","0.03","90","","10206","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C340 H356 Co8 K16 N28 O76 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1514","0.1093","","","0.3293","0.3634","","","","","","1.223","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241815","12.33","0.003","18.33","0.004","18.92","0.004","66.42","0.03","77.02","0.03","74.7","0.03","3745.7","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67 -","- C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667 -","- C126 H130 N10 Na4 O28 Zr2 -","3","1.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0755","0.0663","","","0.1925","0.2055","","","","","","1.051","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241816","29.68","0.006","30.61","0.006","13.46","0.003","90","","98.91","0.03","90","","12081","4","100","","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43 H51 N3 O18 Zr3 -","- C43 H51 N3 O18 Zr3 -","- C172 H204 N12 O72 Zr12 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0859","0.069","","","0.2152","0.2261","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241817","9.5466","0.0003","17.6942","0.0006","20.2248","0.0007","90","","101.2","0.002","90","","3351.3","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl4 Cu4 N8 O28 -","- C56 H56 Cl4 Cu4 N8 O28 -","- C112 H112 Cl8 Cu8 N16 O56 -","2","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0759","0.0533","","","0.1524","0.1787","","","","","","1.052","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241818","9.3595","0.0003","12.4592","0.0004","14.5015","0.0004","87.821","0.001","72.827","0.001","68.258","0.001","1495.86","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","1","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0641","0.0463","","","0.1246","0.1356","","","","","","1.047","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241819","12.9186","0.0005","13.6147","0.0006","21.739","0.0008","89.925","0.003","81.101","0.003","76.021","0.003","3663","0.3","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 N O35 -","- C71 H63 N O35 -","- C142 H126 N2 O70 -","2","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.12","0.1055","","","0.2839","0.2965","","","","","","0.993","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241820","35.528","0.0003","12.9487","0.0001","33.1933","0.0003","90","","105.019","0.001","90","","14748.7","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H81 Mg N2 O41.5 -","- C66 H58 Mg N2 O41.5 -","- C528 H464 Mg8 N16 O332 -","8","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1045","0.0994","","","0.2833","0.289","","","","","","0.967","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241821","21.8515","0.0014","12.375","0.0006","27.435","0.002","90","","112.883","0.009","90","","6834.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H79 N2 O36.5 -","- C69 H67.11 N2 O36.5 -","- C276 H268.44 N8 O146 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1278","0.0716","","","0.1803","0.2038","","","","","","0.881","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241822","21.4549","0.0004","12.5308","0.0001","26.2757","0.0004","90","","111.934","0.002","90","","6552.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H72.54 N2 O35.27 -","- C66.992 H60.57 N2 O35.373 -","- C267.968 H242.28 N8 O141.492 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.0938","0.0695","","","0.1993","0.2187","","","","","","1.065","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241823","36.336","0.004","36.336","0.004","36.336","0.004","90","","90","","90","","47975","9","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C114 H135 Cu12 N24 O36 -","- C114 H135 Cu12 N24 O36 -","- C912 H1080 Cu96 N192 O288 -","8","0.333333","","Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius","An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers","CrystEngComm","2021","23","6","1332","1335","10.1039/D0CE01667E","","","0.7","synchrotron","","0.0753","0.0673","","","0.1939","0.2087","","","","","","1.03","","","","has coordinates,has disorder","262583","2021-03-05","01:48:10",""
"7241824","5.3224","0.00025","12.94547","0.00019","4.53602","0.00017","90","","94.289","0.0021","90","","311.661","0.019","293","","293","","100000","5000","100000","5000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02807","","0.1101","","0.815","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241825","5.2379","0.0004","12.75457","0.00017","4.49625","0.00022","90","","94.413","0.003","90","","299.49","0.03","293","","293","","960000","50000","960000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02508","","0.10166","","0.718","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241826","5.1081","0.0005","12.49492","0.00017","4.4239","0.0003","90","","94.591","0.005","90","","281.45","0.03","293","","293","","3100000","500000","3100000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02896","","0.40688","","0.826","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241827","5.1421","0.0005","12.56168","0.00022","4.4451","0.0003","90","","94.552","0.005","90","","286.22","0.03","293","","293","","2420000","50000","2420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03401","","0.76173","","0.975","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241828","5.0748","0.0006","12.42717","0.00021","4.4031","0.0004","90","","94.604","0.006","90","","276.79","0.04","293","","293","","3740000","60000","3740000","60000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04184","","0.1435","","1.217","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241829","4.9826","0.0008","12.26098","0.00024","4.3436","0.0005","90","","94.581","0.008","90","","264.51","0.05","293","","293","","5930000","50000","5930000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04","","0.2754","","1.174","","","","","","","has coordinates","288267","2023-12-12","21:40:12",""
"7241830","5.0087","0.0006","12.31139","0.0002","4.3629","0.0004","90","","94.593","0.006","90","","268.17","0.04","293","","293","","5170000","50000","5170000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03274","","0.26562","","0.969","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241831","4.6166","0.0004","11.5551","0.0005","4.0512","0.00028","90","","94.807","0.003","90","","215.35","0.03","293","","293","","25270000","50000","25270000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01588","","0.04166","","0.477","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241832","4.8892","0.0005","12.10248","0.0002","4.2841","0.0003","90","","94.569","0.004","90","","252.69","0.03","293","","293","","8730000","50000","8730000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02792","","0.18398","","0.811","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241833","4.8627","0.0005","12.05705","0.00019","4.2663","0.0003","90","","94.603","0.004","90","","249.33","0.03","293","","293","","9810000","50000","9810000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0256","","0.27269","","0.742","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241834","4.7015","0.0004","11.7503","0.0004","4.1387","0.0003","90","","94.764","0.004","90","","227.85","0.03","293","","293","","18570000","50000","18570000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00826","","0.05433","","0.243","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241835","4.8883","0.0003","12.1119","0.0005","4.28963","0.00021","90","","94.6135","0.0025","90","","253.15","0.02","293","","293","","8630000","50000","8630000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01136","","0.04497","","0.325","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241836","5.1811","0.0004","12.63631","0.00018","4.46609","0.00028","90","","94.516","0.004","90","","291.49","0.03","293","","293","","1750000","50000","1750000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02743","","0.26726","","0.782","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241837","4.5713","0.0005","11.4696","0.0007","4.007","0.0003","90","","94.792","0.004","90","","209.36","0.03","293","","293","","29910000","50000","29910000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00979","","0.03785","","0.278","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241838","5.07859","0.00027","12.4595","0.0004","4.41318","0.0002","90","","94.5756","0.0023","90","","278.36","0.02","293","","293","","3550000","50000","3550000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00982","","0.05251","","0.279","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241839","4.6442","0.0003","11.6134","0.0004","4.07822","0.00022","90","","94.7902","0.0027","90","","219.19","0.02","293","","293","","22760000","50000","22760000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0136","","0.03647","","0.39","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241840","4.7371","0.0003","11.82822","0.0003","4.16968","0.00024","90","","94.711","0.003","90","","232.84","0.02","293","","293","","16090000","50000","16090000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00989","","0.05286","","0.292","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241841","4.6069","0.0004","11.5455","0.0007","4.04391","0.00032","90","","94.803","0.003","90","","214.34","0.03","293","","293","","25780000","50000","25780000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00865","","0.0421","","0.247","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241842","4.7786","0.0007","11.9057","0.0005","4.1994","0.0006","90","","94.695","0.006","90","","238.11","0.05","293","","293","","14060000","110000","14060000","110000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02549","","0.05581","","0.736","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241843","5.09945","0.00022","12.4945","0.0003","4.42425","0.00017","90","","94.5655","0.0019","90","","280.997","0.018","293","","293","","3160000","50000","3160000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00768","","0.05282","","0.216","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241844","4.8132","0.0004","11.9681","0.0006","4.23271","0.00023","90","","94.6883","0.0026","90","","243.01","0.03","293","","293","","11840000","190000","11840000","190000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01284","","0.04996","","0.364","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241845","5.269","0.0004","12.82716","0.00016","4.51254","0.0003","90","","94.364","0.004","90","","304.1","0.03","293","","293","","540000","50000","540000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0102","","0.09325","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241846","4.9201","0.0005","12.15166","0.00023","4.3032","0.0004","90","","94.543","0.005","90","","256.47","0.04","293","","293","","7850000","50000","7850000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03174","","0.15244","","0.92","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241847","4.5965","0.0006","11.5222","0.0007","4.0319","0.0004","90","","94.769","0.004","90","","212.8","0.04","293","","293","","27460000","50000","27460000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01753","","0.04852","","0.504","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241848","4.7416","0.0004","11.8243","0.0007","4.17264","0.00027","90","","94.7608","0.0029","90","","233.14","0.03","293","","293","","15600000","500000","15600000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01247","","0.04872","","0.354","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241849","4.5726","0.0006","11.4835","0.0009","4.0105","0.0004","90","","94.821","0.004","90","","209.84","0.04","293","","293","","29800000","500000","29800000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01074","","0.04561","","0.31","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241850","4.8178","0.0006","11.97404","0.00028","4.2306","0.0005","90","","94.607","0.006","90","","243.27","0.04","293","","293","","11890000","50000","11890000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02802","","0.06204","","0.812","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241851","4.6657","0.0004","11.67","0.0006","4.1027","0.00028","90","","94.7684","0.003","90","","222.61","0.03","293","","293","","20640000","50000","20640000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01064","","0.0377","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241852","5.29402","0.00016","12.885","0.0004","4.50656","0.00013","90","","94.329","0.003","90","","306.531","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0378","0.0309","","","0.0738","0.0776","","","","","","1.043","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241853","5.27066","0.00019","12.7806","0.0005","4.48685","0.00019","90","","94.579","0.004","90","","301.28","0.02","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0353","0.0311","","","0.0774","0.0803","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241854","5.26373","0.00014","12.7447","0.0003","4.47691","0.00011","90","","94.687","0.003","90","","299.328","0.013","35","1","35","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0364","0.0343","","","0.0928","0.0948","","","","","","1.072","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241855","5.29025","0.00013","12.8566","0.0003","4.502","0.00012","90","","94.44","0.003","90","","305.283","0.013","230","1","230","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0347","0.0294","","","0.0691","0.0723","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241856","5.28841","0.00013","12.8335","0.0003","4.50014","0.00013","90","","94.541","0.003","90","","304.46","0.014","150","1","150","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0377","0.0314","","","0.0779","0.0821","","","","","","1.063","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241857","5.26753","0.00012","12.7667","0.0002","4.48007","0.0001","90","","94.738","0.002","90","","300.251","0.011","50","1","50","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0291","0.0271","","","0.0743","0.0761","","","","","","1.131","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241858","5.29393","0.00013","12.8775","0.0004","4.50545","0.00012","90","","94.381","0.003","90","","306.251","0.015","270","1","270","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0348","0.0294","","","0.0699","0.0729","","","","","","1.06","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241859","5.27158","0.00013","12.7597","0.0003","4.48224","0.00011","90","","94.731","0.003","90","","300.465","0.013","20","1","20","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0427","0.041","","","0.1104","0.1133","","","","","","1.08","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241860","5.2915","0.00015","12.8527","0.0004","4.50173","0.00014","90","","94.533","0.003","90","","305.205","0.016","190","1","190","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0361","0.0296","","","0.072","0.076","","","","","","1.037","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241861","5.28379","0.00013","12.8173","0.0003","4.49485","0.00012","90","","94.618","0.002","90","","303.421","0.013","120","1","120","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0365","0.0308","","","0.0734","0.0765","","","","","","1.087","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241862","5.2635","0.0002","12.732","0.0004","4.46891","0.00016","90","","94.675","0.004","90","","298.487","0.018","10","1","10","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0384","0.0344","","","0.103","0.1066","","","","","","1.101","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241863","12.0689","0.0003","11.6727","0.0003","21.7296","0.0006","90","","94.542","0.001","90","","3051.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Eu2 N16 O12 -","- C54 H38 Cl4 Eu2 N16 O12 -","- C108 H76 Cl8 Eu4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0453","0.0346","","","0.0829","0.0922","","","","","","1.007","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241864","12.0381","0.0004","11.6511","0.0003","21.7206","0.0007","90","","94.5441","0.001","90","","3036.89","0.16","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Gd2 N16 O12 -","- C54 H38 Cl4 Gd2 N16 O12 -","- C108 H76 Cl8 Gd4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0445","0.0362","","","0.0915","0.0992","","","","","","1.203","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241865","12.0165","0.0011","11.6234","0.0011","24.035","0.002","90","","115.388","0.005","90","","3032.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Dy2 N16 O12 -","- C54 H38 Cl4 Dy2 N16 O12 -","- C108 H76 Cl8 Dy4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0427","0.0365","","","0.1069","0.115","","","","","","0.995","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241866","12.0288","0.0004","11.6329","0.0003","21.7452","0.0006","90","","94.488","0.001","90","","3033.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 N16 O12 Tb2 -","- C54 H38 Cl4 N16 O12 Tb2 -","- C108 H76 Cl8 N32 O24 Tb4 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0413","0.0324","","","0.0789","0.0849","","","","","","1.011","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241867","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241868","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241869","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241870","12.8182","0.0002","8.2926","0.0002","11.3803","0.0002","90","","90","","90","","1209.68","0.04","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.38 Se0.62 U -","- H10 Ni O15 S1.379 Se0.621 U -","- H40 Ni4 O60 S5.516 Se2.484 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0208","0.018","","","0.0414","0.0437","","","","","","1.057","","","","has coordinates,has disorder","262567","2021-03-05","01:45:11",""
"7241871","8.3598","0.0001","11.4808","0.0002","12.9631","0.0001","90","","92.894","0.001","90","","1242.58","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.77 Se1.23 U -","- H10 Ni O15 S0.775 Se1.225 U -","- H40 Ni4 O60 S3.1 Se4.9 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0172","","","0.0413","0.0416","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241872","8.3534","0.0003","11.4839","0.0003","12.9409","0.0004","90","","92.931","0.003","90","","1239.79","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.61 Se1.39 U -","- H10 Ni O15 S0.611 Se1.389 U -","- H40 Ni4 O60 S2.444 Se5.556 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0167","","","0.0409","0.0414","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241873","8.3752","0.0002","11.533","0.0003","13.0328","0.0003","90","","93.103","0.002","90","","1257.01","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.43 Se1.57 U -","- H10 Ni O15 S0.43 Se1.57 U -","- H40 Ni4 O60 S1.72 Se6.28 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0389","0.0256","","","0.0477","0.051","","","","","","1.041","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241874","12.7506","0.0001","8.3095","0.0001","11.2929","0.0001","90","","90","","90","","1196.5","0.02","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S2 U -","- H10 Ni O15 S2 U -","- H40 Ni4 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0282","0.0277","","","0.0752","0.0758","","","","","","1.128","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241875","12.8291","0.0009","8.2825","0.0005","11.3826","0.0006","90","","90","","90","","1209.48","0.13","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.2 Se0.8 U -","- H10 Ni O15 S1.198 Se0.802 U -","- H40 Ni4 O60 S4.792 Se3.208 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0443","0.0303","","","0.0609","0.0663","","","","","","1.043","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241876","8.3202","0.0004","11.4227","0.0004","12.882","0.0006","90","","92.718","0.004","90","","1222.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.96 Se1.04 U -","- H10 Ni O15 S0.958 Se1.042 U -","- H40 Ni4 O60 S3.832 Se4.168 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0567","0.0388","","","0.0663","0.071","","","","","","1.068","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241877","6.5114","0.0001","11.3829","0.0002","8.3439","0.0002","90","","90.773","0.002","90","","618.38","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H10 Mn O15 S2 U -","- H10 Mn O15 S2 U -","- H20 Mn2 O30 S4 U2 -","2","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0171","0.0163","","","0.0398","0.0401","","","","","","1.038","","","","has coordinates","262567","2021-03-05","01:45:12",""
"7241878","8.3902","0.0001","11.5601","0.0002","13.0744","0.0002","90","","93.309","0.001","90","","1265.99","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.22 Se1.78 U -","- H10 Ni O15 S0.216 Se1.784 U -","- H40 Ni4 O60 S0.864 Se7.136 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0147","0.014","","","0.0336","0.0338","","","","","","1.138","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241879","12.7808","0.0003","8.2806","0.0002","11.3074","0.0003","90","","90","","90","","1196.69","0.05","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.85 Se0.15 U -","- H10 Ni O15 S1.852 Se0.148 U -","- H40 Ni4 O60 S7.408 Se0.592 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0263","0.024","","","0.0631","0.0645","","","","","","1.044","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241880","8.3912","0.0002","11.5652","0.0003","13.1209","0.0003","90","","93.533","0.002","90","","1270.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 Se2 U -","- H10 Ni O15 Se2 U -","- H40 Ni4 O60 Se8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0396","0.0412","","","","","","1.031","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241881","12.916","0.0003","8.296","0.0002","11.2937","0.0003","90","","90","","90","","1210.13","0.05","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Co H10 O15 S2 U -","- Co H10 O15 S2 U -","- Co4 H40 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0269","0.0212","","","0.0457","0.0479","","","","","","1.045","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241882","12.783","0.0004","8.2863","0.0003","11.3033","0.0005","90","","90","","90","","1197.29","0.08","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.64 Se0.35 U -","- H10 Ni O15 S1.644 Se0.356 U -","- H40 Ni4 O60 S6.576 Se1.424 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0165","0.0159","","","0.0419","0.0422","","","","","","1.119","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241883","12.8695","0.0003","8.28206","0.00015","11.292","0.0002","90","","90","","90","","1203.57","0.04","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 O15 S2 U Zn -","- H10 O15 S2 U Zn -","- H40 O60 S8 U4 Zn4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0229","0.0205","","","0.0483","0.0498","","","","","","1.028","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241902","8.386","0.002","14.787","0.004","14.458","0.003","90","","96.9","0.1","90","","1779.9","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentacyanonitrosilferrates (II)","iron methylimidazole pentacyanonitrosilferrates (II)","","- C13 Fe2 N10 O -","- C13 Fe2 N10 O -","- C52 Fe8 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","powder diffraction","","1.54056","CuKα","","","","","","","","","12.7212","","","","","","","","has coordinates","262575","2021-03-05","01:46:35",""
"7241903","9.167","0.0005","10.2296","0.0005","15.6179","0.0008","73.752","0.004","80.35","0.004","84.476","0.004","1384.29","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper]","","- C21 H24 Cu Fe N14 O -","- C21 H24 Cu Fe N14 O -","- C42 H48 Cu2 Fe2 N28 O2 -","2","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.0611","0.0397","","","0.0828","0.0938","","","","","","1.01","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241904","14.8493","0.0011","14.498","0.001","16.5461","0.0012","90","","90","","90","","3562.1","0.4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]","","- C13 H12 Fe N10 O Zn -","- C13 H12 Fe N10 O Zn -","- C104 H96 Fe8 N80 O8 Zn8 -","8","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.122","0.0492","","","0.0928","0.1048","","","","","","0.762","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241905","8.4311","0.001","14.9364","0.0015","14.6337","0.0016","90","","97.228","0.011","90","","1828.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-manganese]","","- C13 H12 Fe Mn N10 O -","- C13 H12 Fe Mn N10 O -","- C52 H48 Fe4 Mn4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.1037","0.046","","","0.094","0.1042","","","","","","0.813","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241906","8.4002","0.0003","15.2133","0.0005","14.896","0.0005","90","","98.048","0.003","90","","1884.88","0.11","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-cadmium]","","- C13 H12 Cd Fe N10 O -","- C13 H12 Cd Fe N10 O -","- C52 H48 Cd4 Fe4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.067","0.0387","","","0.0818","0.0974","","","","","","1.033","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241907","5.2628","0.0002","25.4439","0.0014","5.2264","0.0003","90","","96.777","0.002","90","","694.96","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0393","0.0333","","","0.0803","0.0839","","","","","","1.32","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241908","5.2978","0.0002","25.4806","0.0015","5.2759","0.0003","90","","97.132","0.002","90","","706.69","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0416","0.0334","","","0.0796","0.0837","","","","","","1.21","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241909","5.3056","0.0004","23.544","0.002","11.1942","0.001","90","","99.188","0.002","90","","1380.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C6 H14 N O0.5 -","- C6 H14 N O0.5 -","- C48 H112 N8 O4 -","8","2","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0626","0.0525","","","0.1184","0.124","","","","","","1.116","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241910","12.4835","0.0014","6.2084","0.0005","12.2415","0.0013","90","","95.025","0.004","90","","945.1","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0737","0.0481","","","0.1113","0.1227","","","","","","1.109","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241911","12.5492","0.0019","6.2375","0.0007","12.3157","0.0018","90","","94.551","0.005","90","","961","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.1132","0.0554","","","0.1062","0.1281","","","","","","1.065","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241912","5.3447","0.0004","23.72","0.002","11.2047","0.0009","90","","99.241","0.002","90","","1402.05","0.19","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C6 H14 N O0.5 -","- C6 H14 N O0.5 -","- C48 H112 N8 O4 -","8","2","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine – a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0646","0.0532","","","0.1318","0.1402","","","","","","1.069","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241913","13.176","0.003","6.3382","0.0011","11.846","0.002","90","","103.596","0.007","90","","961.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0422","0.0375","","","0.1034","0.1083","","","","","","1.137","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241914","13.2473","0.001","6.3988","0.0004","11.8886","0.0009","90","","103.251","0.002","90","","980.93","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0478","0.0392","","","0.1023","0.1113","","","","","","1.068","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241915","7.689","0.001","19.055","0.003","16.139","0.002","90","","92.027","0.004","90","","2363.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 S Zn -","- C22 H13 N3 O6 S Zn -","- C88 H52 N12 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Mu, Yun-Jing; Zhao, Bang-Tun","Viologen-derived material showing photochromic, visually oxygen responsive, and photomodulated luminescence behaviors","CrystEngComm","2021","23","4","1019","1024","10.1039/D0CE01630F","","","0.71073","MoKα","","0.0561","0.0388","","","0.0873","0.0956","","","","","","1.034","","","","has coordinates,has disorder","261603","2021-02-04","22:58:46",""
"7241916","9.126","0.002","8.627","0.002","28.397","0.002","90","","90","","90","","2235.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.63","synchrotron","","0.0292","0.0244","","","0.0626","0.0735","","","","","","1.287","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241917","9.3165","0.0011","27.144","0.003","12.8713","0.0014","90","","90.699","0.005","90","","3254.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0594","0.0473","","","0.1443","0.1556","","","","","","1.107","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241918","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H0 I7 N4 Pb2 -","- C6 I7 N4 Pb2 -","- C24 I28 N16 Pb8 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.156","0.0983","","","0.294","0.3364","","","","","","1.075","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241919","32.5719","0.0016","6.1388","0.0003","6.1894","0.0003","90","","93.635","0.0019","90","","1235.1","0.1","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 I4 N2 Pb -","- C18 I4 N2 Pb -","- C36 I8 N4 Pb2 -","2","0.25","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0285","0.0283","","","0.0802","0.0804","","","","","","1.106","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241920","8.857","0.0018","8.675","0.0017","27.435","0.006","90","","90","","90","","2108","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.7","synchrotron","","0.0811","0.0626","","","0.1602","0.177","","","","","","1.082","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241921","8.152","0.0016","8.747","0.0018","15.148","0.003","90","","90","","90","","1080.1","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","synchrotron","","0.0639","0.0617","","","0.2007","0.2039","","","","","","1.138","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241922","9.6059","0.0001","15.3508","0.0001","19.727","0.0002","105.947","0.001","93.028","0.001","108.138","0.001","2627.33","0.05","160","0.1","160","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H57 Cl N2 O7 S -","- C31 H57 Cl N2 O7 S -","- C93 H171 Cl3 N6 O21 S3 -","3","3","","Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun","The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride","CrystEngComm","2021","23","1","47","55","10.1039/D0CE01459A","","","1.54184","CuKα","","0.0807","0.0745","","","0.2107","0.2253","","","","","","1.039","","","","has coordinates,has disorder","261596","2021-02-04","22:57:12",""
"7241923","18.41","0.009","30.209","0.014","12.589","0.006","90","","90","","90","","7001","6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H47 Cu N4 O11 S2 -","- C248 H188 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0822","0.0538","","","0.1503","0.1702","","","","","","1.03","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241924","11.4789","0.0003","14.7923","0.0005","15.0691","0.0005","115.911","0.001","110.477","0.001","95.342","0.001","2062.18","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N2 O8 S2 -","- C36 H26 Co N2 O8 S2 -","- C72 H52 Co2 N4 O16 S4 -","2","1","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0725","0.0469","","","0.1362","0.1497","","","","","","1.072","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241925","10.9393","0.0003","13.6939","0.0004","15.4106","0.0005","64.935","0.002","85.116","0.002","85.63","0.002","2081.48","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.068","0.0454","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241926","14.095","0.002","15.145","0.002","19.285","0.003","91.022","0.008","102.243","0.007","97.748","0.008","3981.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.1001","0.0558","","","0.152","0.1773","","","","","","1.048","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241927","12.4189","0.0004","20.0829","0.0006","28.0298","0.0008","90","","90","","90","","6990.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H48 Cu N4 O11 S2 -","- C248 H192 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.103","0.0621","","","0.1721","0.1943","","","","","","1.033","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241945","13.98878","0.00006","23.20468","0.00008","26.86614","0.00009","103.05","0.0003","91.7765","0.0003","93.9686","0.0003","8465.51","0.06","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C160 H117.4 Cd10 N25 O49.2 -","- C160 H117.4 Cd10 N25 O49.2 -","- C320 H234.8 Cd20 N50 O98.4 -","2","1","","Fan, Liming; Zhao, Dongsheng; Li, Bei; Chen, Xi; Wang, Feng; Deng, Yuxin; Niu, Yulan; Zhang, Xiutang","An exceptionally stable luminescent cadmium(ii) metal‒organic framework as a dual-functional chemosensor for detecting Cr(vi) anions and nitro-containing antibiotics in aqueous media","CrystEngComm","2021","23","5","1218","1225","10.1039/D0CE01721C","","x-ray","1.54184","CuKα","","0.0518","0.0498","","","0.1347","0.1365","","","","","","1.053","","","","has coordinates,has disorder","262566","2021-03-05","01:44:58",""
"7241946","14.0232","0.0019","14.0232","0.0019","25.446","0.007","90","","90","","120","","4333.6","1.5","298","2","298.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H38 N4 O14 Zn3 -","- C54 H38 N4 O14 Zn3 -","- C162 H114 N12 O42 Zn9 -","3","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione","CrystEngComm","2021","23","5","1243","1250","10.1039/D0CE01741H","","","0.71073","MoKα","","0.1242","0.0654","","","0.1491","0.1726","","","","","","1.03","","","","has coordinates","262572","2021-03-05","01:46:06",""
"7241947","3.8385","0.0008","27.44","0.006","12.924","0.003","90","","95.52","0.03","90","","1355","0.5","293","","293","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.5159","synchrotron","","0.0933","0.0619","","0.1567","0.1244","0.1567","","","","","","0.9871","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241948","3.86184","0.00017","27.587","0.0014","13.0065","0.0005","90","","95.678","0.004","90","","1378.87","0.11","150","","150","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.0513","0.0484","","0.1232","0.121","0.1232","","","","","","0.9623","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241949","3.8299","0.0003","27.522","0.0019","13.0115","0.0016","90","","95.766","0.01","90","","1364.6","0.2","80","","80","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.064","0.0599","","0.1596","0.1531","0.1596","","","","","","1.0078","","","","has coordinates,has disorder","261600","2021-02-04","22:58:00",""
"7241950","7.3014","0.00003","8.7017","0.00007","13.2339","0.00007","100.09","0.011","117.346","0.007","104.142","0.008","682.7","0.09","293","","293","","0.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1378","0.1187","","0.4324","0.4062","0.4324","","","","","","1.9981","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241951","7.0456","0.00003","8.1741","0.00007","12.2122","0.00006","101.337","0.011","114.199","0.007","104.453","0.008","584.57","0.07","293","","293","","3.75","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1313","0.1167","","0.4079","0.3895","0.4079","","","","","","1.9401","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241952","7.1745","0.00003","8.4378","0.00007","12.7346","0.00007","100.591","0.012","115.749","0.007","104.468","0.008","633.45","0.09","293","","293","","1.47","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1194","0.1015","","0.2606","0.2456","0.2606","","","","","","1.008","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241953","7.394","0.00003","8.9363","0.00007","13.688","0.00006","100.541","0.011","118.408","0.007","103.46","0.008","726.65","0.1","293","","293","","0","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.2496","0.2366","","0.5572","0.5524","0.5572","","","","","","1.6344","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241954","7.3922","0.00003","8.9272","0.00008","13.6524","0.00009","100.317","0.014","118.354","0.009","103.641","0.009","724.49","0.13","293","","293","","0.21","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.163","0.1389","","0.4195","0.389","0.4195","","","","","","1.714","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241955","7.029","0.00003","8.0085","0.00006","12.0805","0.00006","101.11","0.01","114.232","0.007","104.203","0.008","567.09","0.07","293","","293","","4.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1564","0.1352","","0.4498","0.4244","0.4498","","","","","","1.9834","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241956","7.0954","0.00003","8.2375","0.00007","12.3966","0.00006","100.861","0.011","114.958","0.007","104.5","0.008","599.22","0.08","293","","293","","2.86","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1339","0.1176","","0.4086","0.3845","0.4086","","","","","","1.8296","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241957","6.7041","0.0008","11.8458","0.001","30.358","0.004","90","","90","","90","","2410.9","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.107","0.0569","","","0.1036","0.1164","","","","","","0.952","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241958","6.7095","0.0004","11.8584","0.0006","30.4373","0.0015","90","","90","","90","","2421.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1178","0.0607","","","0.1155","0.131","","","","","","0.957","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241959","9.8463","0.0008","9.3601","0.0007","18.1965","0.0012","90","","91.888","0.003","90","","1676.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0694","0.043","","","0.11","0.1223","","","","","","0.931","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241960","12.1073","0.0009","6.2472","0.0005","21.321","0.0015","90","","94.374","0.004","90","","1608","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N12 O12 -","- C28 H34 Cu N12 O12 -","- C56 H68 Cu2 N24 O24 -","2","0.5","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1353","0.0571","","","0.1171","0.1469","","","","","","1.003","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241961","7.2922","0.0003","7.8666","0.0003","17.1901","0.0006","81.064","0.002","79.634","0.002","80.387","0.002","948.38","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N5 O8 -","- C16 H25 N5 O8 -","- C32 H50 N10 O16 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0937","0.0509","","","0.1234","0.1389","","","","","","0.945","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241962","7.592","0.0003","15.4924","0.0007","16.2129","0.0008","72.946","0.003","83.283","0.002","81.684","0.002","1798.3","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N10 O15 -","- C30 H46 N10 O15 -","- C60 H92 N20 O30 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0896","0.0472","","","0.1066","0.1195","","","","","","0.96","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241963","25.053","0.0012","10.4016","0.0005","8.0082","0.0003","90","","90","","90","","2086.87","0.16","293","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","(Protonated proton sponge) triiodoplumbate, beta phase","(Protonated proton sponge) triiodoplumbate, beta phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C56 H76 I12 N8 Pb4 -","4","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","12","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241964","28.0408","0.0006","17.385","0.0003","7.88582","0.00016","90","","90","","90","","3844.25","0.13","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) tribromoplumbate","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 Br3 N2 Pb -","- C14 H19 Br3 N2 Pb -","- C112 H152 Br24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","14.2","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241965","28.8862","0.0004","18.133","0.0002","8.02619","0.0001","90","","90","","90","","4204.07","0.09","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) triiodoplumbate, alpha phase","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C112 H152 I24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.9","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241966","26.6594","0.0003","9.2333","0.0001","17.6019","0.0002","90","","93.22","0.001","90","","4325.94","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N16 O7 Rb4 W2 -","- C32 H16 N16 O7 Rb4 W2 -","- C128 H64 N64 O28 Rb16 W8 -","4","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.0592","0.0428","","","0.0907","0.0967","","","","","","1.05","","","","has coordinates,has disorder","262564","2021-03-05","01:44:41",""
"7241967","8.4996","0.0002","9.2127","0.0002","14.357","0.0003","89.638","0.002","86.389","0.002","68.804","0.002","1045.92","0.04","200","2","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 K2 N8 O3 W -","- C16 H8 K2 N8 O3 W -","- C32 H16 K4 N16 O6 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.053","0.0463","","","0.1027","0.106","","","","","","1.023","","","","has coordinates","262564","2021-03-05","01:44:41",""
"7241968","6.73165","0.00019","7.0727","0.0002","7.95197","0.00018","86.2104","0.0017","72.5954","0.0018","85.649","0.002","359.851","0.017","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","1","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0382","0.0357","","","0.0971","0.0996","","","","","","1.119","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241969","7.6145","0.0003","12.323","0.0005","15.6653","0.0005","90","","101.077","0.002","90","","1442.54","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 O12 S2 -","- C20 H40 N6 O12 S2 -","- C40 H80 N12 O24 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0735","0.0581","","","0.1418","0.1535","","","","","","1.009","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241970","21.384","","8.2026","","9.6041","","90","","90","","90","","1684.6","","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S2 -","- C8 H12 N6 O7 S2 -","- C32 H48 N24 O28 S8 -","4","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1168","0.0951","","","0.2893","0.3067","","","","","","1.094","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241971","7.5488","0.0002","18.0321","0.0006","11.5759","0.0004","90","","91.052","0.006","90","","1575.45","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N9 O6 S2 -","- C26 H19 N9 O6 S2 -","- C52 H38 N18 O12 S4 -","2","1","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0693","0.0517","","","0.1494","0.154","","","","","","1.079","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241972","7.4854","0.0005","12.0766","0.0007","16.8284","0.001","90","","90.093","0.006","90","","1521.25","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N9 O6 S2 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1338","0.1099","","","0.3154","0.3472","","","","","","1.177","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241973","5.94009","0.00017","7.47","0.0002","20.086","0.0006","90","","90.581","0.006","90","","891.22","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C24 H40 N16 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0575","0.0535","","","0.1555","0.1606","","","","","","1.074","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241974","10.3886","0.0002","7.34813","0.00019","17.1099","0.0003","90","","103.338","0.0013","90","","1270.88","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N8 O8 S2 -","- C18 H30 N8 O8 S2 -","- C36 H60 N16 O16 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0414","0.0366","","","0.0996","0.1023","","","","","","1.114","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241975","7.623","0.0003","16.8745","0.0008","11.809","0.0006","90","","90.488","0.006","90","","1518.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 O6 S5 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1118","0.095","","","0.2899","0.3084","","","","","","1.083","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241976","5.6333","0.0002","8.584","0.0004","19.6694","0.0009","90","","92.189","0.004","90","","950.44","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0783","0.0524","","","0.1245","0.1396","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:08",""
"7241977","5.7177","0.0002","8.6998","0.0004","19.404","0.0009","90","","92.21","0.004","90","","964.49","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9 H10 Br0.5 Cl0.5 N O2 -","- C36 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.0854","0.0552","","","0.1095","0.122","","","","","","1.0283","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241978","5.6612","0.0004","8.6217","0.0007","19.164","0.002","90","","91.532","0.008","90","","935.04","0.14","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1312","0.058","","","0.1325","0.1765","","","","","","1.001","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241979","5.829","0.0016","8.757","0.002","18.712","0.008","90","","91.96","0.03","90","","954.6","0.5","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1654","0.1319","","","0.3203","0.3464","","","","","","1.058","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241980","5.8421","0.0007","8.2764","0.0014","18.838","0.003","90","","92.673","0.013","90","","909.9","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1398","0.0898","","","0.2217","0.2608","","","","","","1.089","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241981","5.7913","0.0003","8.792","0.0006","19.0844","0.0018","90","","92.462","0.006","90","","970.83","0.12","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0733","0.0439","","","0.0822","0.0918","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241982","5.9566","0.0006","8.7112","0.0009","18.065","0.003","90","","92.015","0.012","90","","936.8","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1601","0.0678","","","0.1515","0.1938","","","","","","1.022","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241983","5.8044","0.0007","8.6743","0.0012","18.561","0.003","90","","91.675","0.012","90","","934.1","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9.056 H10 Br0.5 Cl0.5 N O2 -","- C36.224 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1261","0.0783","","","0.1594","0.184","","","","","","1.153","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241984","5.91","0.0004","8.612","0.001","18.0253","0.0016","90","","91.628","0.007","90","","917.06","0.15","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cl N2 O4 -","- C18 H20 Br Cl N2 O4 -","- C36 H40 Br2 Cl2 N4 O8 -","2","0.5","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1183","0.0692","","","0.1168","0.1339","","","","","","1.153","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241988","3.849","0.006","9.074","0.015","10.642","0.017","81.17","0.04","79.73","0.02","77.77","0.02","354.8","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Br Cu N6 -","- C3 H6 Br Cu N6 -","- C6 H12 Br2 Cu2 N12 -","2","1","","Hou, Qin; Yang, Qingfeng; Miao, Chengxia; Duan, Junling; Zhang, Yuanhong; Ai, Shiyun","Efficient removal of Pb2+ and Cd2+ using a Cu(i)‒Br coordination polymer constructed with an amino-rich ligand","CrystEngComm","2021","23","6","1489","1496","10.1039/D0CE01785J","","","0.71073","MoKα","","0.0985","0.0686","","","0.1737","0.1887","","","","","","0.985","","","","has coordinates","262579","2021-03-05","01:47:18",""
"7241989","12.4204","0.0005","21.5953","0.0007","16.3081","0.0006","90","","102.907","0.004","90","","4263.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N Nd O7.5 -","- C21 H16 N Nd O7.5 -","- C168 H128 N8 Nd8 O60 -","8","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0675","0.0688","","","","","","1.075","","","","has coordinates,has disorder","262580","2021-03-05","01:47:29",""
"7241990","19.4366","0.0009","8.7643","0.0004","45.084","0.002","90","","90","","90","","7680","0.6","120","2","120.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H64 Gd4 N4 O28 -","- C84 H64 Gd4 N4 O28 -","- C336 H256 Gd16 N16 O112 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","","0.71073","MoKα","","0.0897","0.0508","","","0.0842","0.0962","","","","","","1.005","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241991","11.9185","0.0003","21.873","0.0005","16.5342","0.0004","90","","100.476","0.002","90","","4238.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0353","0.022","","","0.0462","0.0499","","","","","","1.025","","","","has coordinates","262580","2021-03-05","01:47:30",""
"7241992","13.2526","0.0008","14.3785","0.0008","19.9214","0.001","70.927","0.005","74.63","0.005","75.542","0.005","3403.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","1","0.5","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","1.54184","CuKα","","0.0624","0.043","","","0.103","0.1171","","","","","","1.047","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241993","10.7683","0.0013","12.9615","0.0015","13.7053","0.0016","75.796","0.003","69.498","0.004","67.431","0.003","1640.8","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N2 O7 S -","- C26 H18 Cu2 N2 O7 S -","- C52 H36 Cu4 N4 O14 S2 -","2","1","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.0403","0.0367","","","0.104","0.1066","","","","","","1.05","","","","has coordinates","262577","2021-03-05","01:46:54",""
"7241994","27.221","0.002","15.4625","0.0013","13.364","0.0011","90","","117.265","0.001","90","","5000","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Mn3 N4 O15 S2 -","- C50 H46 Mn3 N4 O15 S2 -","- C200 H184 Mn12 N16 O60 S8 -","4","0.5","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.054","0.0418","","","0.1093","0.1165","","","","","","1.042","","","","has coordinates,has disorder","262577","2021-03-05","01:46:54",""
"7241995","5.8453","0.0012","21.435","0.005","13.955","0.003","90","","95.506","0.003","90","","1740.4","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA","Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate","","- C20 H38 N10 Na2 O20 P2 -","- C20 H38 N10 Na2 O20 P2 -","- C40 H76 N20 Na4 O40 P4 -","2","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0268","0.026","","","0.0657","0.0665","","","","","","1.07","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241996","10.9535","0.0015","10.9535","0.0015","22.449","0.005","90","","90","","120","","2332.6","0.7","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C10 H15 N5 Na O8 P -","- C10 H15 N5 Na O8 P -","- C60 H90 N30 Na6 O48 P6 -","6","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0825","0.0547","","","0.1413","0.1582","","","","","","1.005","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7242009","14.163","0.017","10.101","0.012","10.664","0.012","90","","106.827","0.015","90","","1460","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H2 K O18 -","- B11 H2 K O18 -","- B44 H8 K4 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0652","0.0443","","","0.0913","0.1014","","","","","","1.045","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242010","14.183","0.007","10.192","0.005","11.348","0.005","90","","106.022","0.006","90","","1576.7","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 Cs H2 O18 -","- B11 Cs H2 O18 -","- B44 Cs4 H8 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0663","0.0488","","","0.0762","0.0812","","","","","","0.932","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242011","12.8502","0.0005","25.0643","0.001","15.0803","0.0006","90","","100.722","0.001","90","","4772.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H40 Co2 N4 O15 P4 Si -","- C176 H160 Co8 N16 O60 P16 Si4 -","4","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0639","0.0453","","","0.1176","0.1294","","","","","","1.028","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242012","14.8494","0.0014","14.9534","0.0013","15.098","0.0013","67.608","0.002","88.443","0.002","64.186","0.002","2751.4","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Co2 N4 O24 P4 Si -","- C44 H60 Co2 N4 O24 P4 Si -","- C88 H120 Co4 N8 O48 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0959","0.0587","","","0.1309","0.1514","","","","","","1.037","","","","has coordinates,has disorder","261610","2021-02-04","22:59:42",""
"7242013","25.3454","0.001","14.9757","0.0006","21.3503","0.0008","90","","106.49","0.001","90","","7770.5","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29.5 Co2 N2 O14 P4 Si -","- C34 H29.5 Co2 N2 O14 P4 Si -","- C272 H236 Co16 N16 O112 P32 Si8 -","8","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0561","0.0401","","","0.1063","0.116","","","","","","1.043","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242014","13.683","0.0009","14.9714","0.001","15.0532","0.001","61.509","0.001","68.125","0.001","64.224","0.001","2386.9","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H42 Co2 N4 O15 P4 Si -","- C88 H84 Co4 N8 O30 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0518","0.04","","","0.0965","0.1039","","","","","","1.039","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242018","13.9934","0.0011","14.1253","0.0011","19.0474","0.0015","76.683","0.002","68.564","0.002","85.169","0.003","3410.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H74 Co2 I3 K N4 O14 -","- C64 H74 Co2 I3 K N4 O14 -","- C128 H148 Co4 I6 K2 N8 O28 -","2","1","","Ghosh, Kousik; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex","CrystEngComm","2021","23","6","1429","1438","10.1039/D0CE01513J","","","0.71073","MoKα","","0.0627","0.0544","","","0.1766","0.1915","","","","","","1.183","","","","has coordinates","262576","2021-03-05","01:46:48",""
"7242021","21.079","0.002","6.9804","0.0006","9.4823","0.0013","90","","100.721","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H17 Ag I2 N4 O -","- C7 H15 Ag I2 N4 O -","- C28 H60 Ag4 I8 N16 O4 -","4","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0426","0.0344","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242022","9.7304","0.0016","7.1624","0.0008","11.7858","0.0017","90","","111.815","0.018","90","","762.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 I3 N4 -","- C7 H15 Ag2 I3 N4 -","- C14 H30 Ag4 I6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0451","0.0361","","","0.0937","0.1013","","","","","","1.035","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242023","9.6337","0.0015","6.8617","0.0007","11.3159","0.0016","90","","113.127","0.017","90","","687.91","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 Br3 N4 O0 -","- C7 H16 Ag2 Br3 N4 -","- C14 H32 Ag4 Br6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0693","0.0589","","","0.2069","0.2294","","","","","","1.036","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242024","21.718","0.0013","7.8066","0.0006","24.1817","0.0017","90","","90.887","0.006","90","","4099.4","0.5","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 Na4 O10 -","- C50 H36 N2 Na4 O10 -","- C200 H144 N8 Na16 O40 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.2167","0.1321","","","0.3476","0.3874","","","","","","1.119","","","","has coordinates","260852","2021-01-08","03:07:11",""
"7242025","17.329","0.004","36.085","0.007","15.194","0.003","90","","94.59","0.03","90","","9471","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H83.25 K9 N3.25 O38.5 -","- C91 H51 K9 N O26.5 -","- C364 H204 K36 N4 O106 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","","0.71073","Synchrotron","","0.0829","0.0722","","","0.2254","0.2364","","","","","","1.053","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242026","22.8138","0.0011","7.9496","0.0004","26.091","0.0011","90","","96.564","0.004","90","","4700.9","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46.5 Na4 O16.25 -","- C50 H46 Na4 O16.25 -","- C200 H184 Na16 O65 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.1475","0.0698","","","0.1399","0.169","","","","","","1.029","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242027","13.1438","0.0007","17.2839","0.001","17.6953","0.0011","90","","104.028","0.006","90","","3900.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C216 H120 N24 O24 -","6","1.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.199","0.0631","","","0.1304","0.1682","","","","","","0.866","","","","has coordinates","262556","2021-03-05","01:43:41",""
"7242028","7.7993","0.0003","22.8606","0.0008","33.5658","0.0011","90","","90","","90","","5984.7","0.4","138","","138","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C50 H26 N8 O21 -","- C50 H26 N8 O21 -","- C200 H104 N32 O84 -","4","0.25","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.1621","0.1258","","","0.3764","0.3999","","","","","","1.493","","","","has coordinates,has disorder","262556","2021-03-05","01:43:42",""
"7242029","16.6037","0.0003","10.0174","0.0002","32.0776","0.0005","90","","100.676","0.002","90","","5242.98","0.17","138","","138","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 N10 O21 S2 -","- C52 H40 N10 O21 S2 -","- C208 H160 N40 O84 S8 -","4","0.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.0535","0.0429","","","0.1136","0.1202","","","","","","1.109","","","","has coordinates","262556","2021-03-05","01:43:42",""
"7242030","9.0784","0.0003","13.877","0.0004","16.6645","0.0004","90","","105.807","0.001","90","","2020.02","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Co2 N6 O -","- C18 H16 Cl2 Co2 N6 O -","- C72 H64 Cl8 Co8 N24 O4 -","4","1","","Wu, Wen-Hao; Wang, Ya-Qun; Mi, Hong-Li; Xue, Qing-Xuan; Shao, Feng; Shen, Fei; Yang, Feng-Lei","Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant","CrystEngComm","2021","23","6","1398","1405","10.1039/D0CE01662D","","","0.71073","MoKα","","0.0493","0.0328","","","0.0878","0.0927","","","","","","1.048","","","","has coordinates","262582","2021-03-05","01:47:52",""
"7242031","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","262584","2021-03-05","01:48:16",""
"7242032","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","262584","2021-03-05","01:48:17",""
"7242033","12.519","0.003","13.668","0.003","16.827","0.003","99.56","0.03","108.37","0.03","95.92","0.03","2657.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","1","0.5","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.7","synchrotron","","0.0818","0.0724","","","0.206","0.2117","","","","","","1.07","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242034","12.716","0.003","13.798","0.003","16.84","0.003","97.8","0.03","110.15","0.03","98.57","0.03","2686.6","1.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Ag Cl N3 O13 -","- C60 H54 Ag Cl N3 O13 -","- C120 H108 Ag2 Cl2 N6 O26 -","2","1","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.8","synchrotron","","0.0848","0.0765","","","0.2184","0.2271","","","","","","1.018","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242038","7.7112","0.0003","12.8858","0.0006","19.6573","0.0008","90","","91.982","0.002","90","","1952.08","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C72 H56 Ag4 F24 N16 Sb4 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0284","0.0239","","","0.0532","0.0553","","","","","","1.034","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242039","13.6966","0.0013","13.1588","0.0012","26.895","0.003","90","","96.078","0.004","90","","4820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C144 H112 Ag8 F48 N32 Sb8 -","8","2","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.1064","0.0909","","","0.1788","0.1851","","","","","","1.135","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242040","16.2711","0.001","15.9716","0.0011","15.6817","0.0011","90","","102.447","0.003","90","","3979.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag2 F12 N8 Sb2 -","- C36 H28 Ag2 F12 N8 Sb2 -","- C144 H112 Ag8 F48 N32 Sb8 -","4","0.5","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0245","0.0223","","","0.0479","0.0492","","","","","","1.051","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242041","16.2241","0.0015","9.242","0.0009","23.889","0.002","90","","107.447","0.002","90","","3417.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ag B N4 -","- C42 H34 Ag B N4 -","- C168 H136 Ag4 B4 N16 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0396","0.0289","","","0.0656","0.0695","","","","","","1.046","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242042","9.5737","0.0005","11.8435","0.0005","15.8044","0.0009","75.085","0.004","75.49","0.004","84.345","0.004","1675.28","0.15","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O7.5 Zn -","- C37 H32 N6 O4 Zn -","- C74 H64 N12 O8 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.1282","0.1071","","","0.2672","0.2773","","","","","","1.087","","","","has coordinates","262593","2021-03-05","01:49:34",""
"7242043","10.8405","0.0003","11.9854","0.0004","15.6874","0.0005","68.832","0.003","82.546","0.002","75.177","0.002","1835.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 O10 Zn2 -","- C41 H36 N6 O10 Zn2 -","- C82 H72 N12 O20 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.064","0.041","","","0.0833","0.09","","","","","","1.021","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242044","8.478","0.0002","11.9324","0.0003","13.6431","0.0003","105.021","0.002","101.269","0.002","105.692","0.003","1229.9","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N3 O9 Zn2 -","- C27 H18 N3 O9 Zn2 -","- C54 H36 N6 O18 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0762","0.0485","","","0.1301","0.1428","","","","","","1.077","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242045","8.8439","0.0001","10.2104","0.0002","10.7211","0.0002","99.388","0.002","96.184","0.001","101.935","0.001","924.41","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.5 N3 O5.5 Zn -","- C20 H16.5 N3 O5.5 Zn -","- C40 H33 N6 O11 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0456","0.0331","","","0.0844","0.0887","","","","","","1.086","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242046","15.1093","0.0007","17.6849","0.0007","8.2597","0.0003","90","","100.468","0.003","90","","2170.31","0.16","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C34 H52 Ag2 N6 O6 Si4 -","- C34 H52 Ag2 N6 O6 Si4 -","- C68 H104 Ag4 N12 O12 Si8 -","2","0.25","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0623","","","","","","1.14","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242047","10.536","0.002","10.805","0.002","17.843","0.004","84.11","0.03","73.3","0.03","73.1","0.03","1861.2","0.8","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","1","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.63","synchrotron","","0.068","0.0517","","","0.1697","0.1826","","","","","","1.088","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242048","13.1079","0.0003","12.2055","0.0004","14.7073","0.0004","90","","106.888","0.002","90","","2251.52","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag B F4 N2 Si2 -","- C17 H26 Ag B F4 N2 Si2 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0908","0.0596","","","0.1513","0.1756","","","","","","1.022","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242049","9.3612","0.0004","16.6277","0.0008","14.6315","0.0007","90","","99.453","0.001","90","","2246.54","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0492","0.0408","","","0.1084","0.1173","","","","","","1.053","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242050","13.055","0.003","12.393","0.003","14.789","0.003","90","","106.13","0.03","90","","2298.5","1","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag Cl N2 O4 Si2 -","- C17 H26 Ag Cl N2 O4 Si2 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.65","synchrotron","","0.0634","0.0525","","","0.1785","0.1881","","","","","","1.055","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242051","9.478","0.0002","16.6234","0.0004","14.6344","0.0004","90","","98.938","0.001","90","","2277.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0373","0.0288","","","0.065","0.0704","","","","","","1.08","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242052","12.6","0.0005","13.2029","0.0006","14.6341","0.0006","90","","101.204","0.002","90","","2388.08","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag F6 N2 P Si2 -","- C17 H26 Ag F6 N2 P Si2 -","- C68 H104 Ag4 F24 N8 P4 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0627","0.0427","","","0.1018","0.1143","","","","","","1.034","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242053","15.1069","0.0018","10.2825","0.0011","20.87","0.002","90","","90","","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N3 O8 S -","- C14 H16 Cu N3 O8 S -","- C112 H128 Cu8 N24 O64 S8 -","8","1","","Zhu, Jin-Long; Zhu, Peizhi; Chen, Hai-Tao; Yan, Min; Zhang, Kou-Lin","Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)‒organic framework","CrystEngComm","2021","23","9","1929","1941","10.1039/D0CE01724H","","","0.71073","MoKα","","0.0477","0.0356","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","263725","2021-04-05","14:34:36",""
"7242081","15.679","0.009","11.03","0.006","18.158","0.011","90","","102.581","0.017","90","","3065","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N5 O7 Zn -","- C34 H27 N5 O7 Zn -","- C136 H108 N20 O28 Zn4 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0872","0.0519","","","0.1007","0.1103","","","","","","0.999","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242082","16.564","0.007","17.185","0.007","10.62","0.005","90","","92.819","0.016","90","","3019","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Co N5 O7 -","- C34 H27 Co N5 O7 -","- C136 H108 Co4 N20 O28 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0514","0.0458","","","0.1269","0.1302","","","","","","0.977","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242083","13.8693","0.001","50.702","0.004","8.3094","0.0006","90","","90","","90","","5843.2","0.8","302","2","302","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C64 H44 N10 O13 Zn2 -","- C64 H44 N10 O13 Zn2 -","- C256 H176 N40 O52 Zn8 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.1098","0.0757","","","0.1513","0.1592","","","","","","1.269","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242084","24.357","0.002","16.6019","0.0016","18.5781","0.0019","90","","90","","90","","7512.5","1.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C82 H60 Co3 N14 O15 -","- C82 H60 Co3 N14 O15 -","- C328 H240 Co12 N56 O60 -","4","0.5","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0693","0.0515","","","0.1261","0.1343","","","","","","0.983","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242085","23.5717","0.001","7.6109","0.0003","16.3266","0.0008","90","","124.849","0.002","90","","2403.73","0.19","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N14 O4 -","- C20 H16 Co N14 O4 -","- C80 H64 Co4 N56 O16 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0417","0.0366","","","0.0908","0.0935","","","","","","1.035","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242086","20.4571","0.0013","16.4629","0.0013","10.3821","0.0007","90","","99.791","0.003","90","","3445.6","0.4","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd3 N7 O18 -","- C27 H25 Cd3 N7 O18 -","- C108 H100 Cd12 N28 O72 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0311","0.0228","","","0.0542","0.057","","","","","","1.036","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242087","9.7397","0.0005","13.5689","0.0006","12.187","0.0006","90","","113.423","0.0013","90","","1477.88","0.12","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cd N7 O4 -","- C11 H7 Cd N7 O4 -","- C44 H28 Cd4 N28 O16 -","4","1","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.027","0.0215","","","0.0486","0.0505","","","","","","1.033","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242088","10.1603","0.0005","11.7436","0.0005","13.3228","0.0006","81.308","0.001","73.137","0.001","88.206","0.001","1503.7","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","1","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0617","0.0397","","","0.0986","0.106","","","","","","1.04","","","","has coordinates,has disorder","262558","2021-03-05","01:43:55",""
"7242089","14.0276","0.0008","7.865","0.0004","14.9871","0.0008","90","","115.475","0.002","90","","1492.72","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.0633","0.0457","","","0.1072","0.1137","","","","","","1.105","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242090","16.4359","0.0013","3.8887","0.0003","45.843","0.004","90","","90","","90","","2930","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.1558","0.0597","","","0.0845","0.104","","","","","","1.014","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242091","6.989","0.0014","8.308","0.0017","16.476","0.003","83.84","0.03","78.78","0.03","79.1","0.03","919","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.0906","0.0627","","","0.1562","0.1726","","","","","","1.007","","","","has coordinates","262553","2021-03-05","01:42:55",""
"7242092","7.595","0.007","9.979","0.01","20.822","0.019","85.1","0.03","83.7","0.04","84.22","0.03","1556","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H57 Br N2 O -","- C28 H57 Br N2 O -","- C56 H114 Br2 N4 O2 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","1.54178","CuKα","","0.082","0.0611","","","0.1243","0.1319","","","","","","1.168","","","","has coordinates","262553","2021-03-05","01:42:58",""
"7242093","22.453","0.0013","8.5697","0.0005","10.2184","0.0007","90","","91.87","0.002","90","","1965.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C68 H132 Br4 N8 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.1164","0.0517","","","0.1123","0.1357","","","","","","1.02","","","","has coordinates","262553","2021-03-05","01:43:00",""
"7242094","11.389","0.005","25.046","0.005","10.134","0.005","90","0.005","106.839","0.005","90","0.005","2766.8","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N10 Ni O12 -","- C62 H48 N10 Ni O12 -","- C124 H96 N20 Ni2 O24 -","2","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71069","MoKα","","0.1249","0.0627","","","0.1582","0.1936","","","","","","1.019","","","","has coordinates","262568","2021-03-05","01:45:29",""
"7242095","27.1381","0.0015","9.546","0.0005","26.1291","0.0014","90","","119.788","0.002","90","","5874.6","0.6","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 N8 Ni2 O13 -","- C62 H60 N8 Ni2 O13 -","- C248 H240 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0659","0.0397","","","0.0985","0.1107","","","","","","1.015","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242096","10.8482","0.0004","11.7284","0.0005","25.7782","0.0009","90","","100.649","0.001","90","","3223.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 Ni O10 -","- C32 H32 N4 Ni O10 -","- C128 H128 N16 Ni4 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0494","0.0351","","","0.0912","0.0986","","","","","","1.025","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242097","24.0029","0.0019","8.5417","0.0007","17.688","0.0013","90","","92.236","0.003","90","","3623.7","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 N6 Ni O12 -","- C38 H28 N6 Ni O12 -","- C152 H112 N24 Ni4 O48 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1581","0.0862","","","0.2382","0.2893","","","","","","1.053","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242098","27.98","0.004","9.5268","0.0011","26.15","0.003","90","","121.298","0.005","90","","5956.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N8 Ni2 O13 -","- C68 H56 N8 Ni2 O13 -","- C272 H224 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0794","0.0433","","","0.0978","0.1129","","","","","","1.004","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242099","12.5279","0.0007","11.1904","0.0006","20.7164","0.0012","90","","97.053","0.001","90","","2882.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cu N4 O10 -","- C27 H28 Cu N4 O10 -","- C108 H112 Cu4 N16 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1448","0.0598","","","0.1369","0.1762","","","","","","0.953","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242100","11.2388","0.0008","11.4778","0.0008","12.7315","0.001","93.977","0.002","105.839","0.002","95.628","0.002","1564.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Cu N4 O7 -","- C33 H36 Cu N4 O7 -","- C66 H72 Cu2 N8 O14 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0984","0.0547","","","0.123","0.1379","","","","","","0.99","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242101","9.0605","0.0006","14.3095","0.0009","15.1659","0.001","90","","104.665","0.001","90","","1902.2","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Cu N4 O9 -","- C40 H36 Cu N4 O9 -","- C80 H72 Cu2 N8 O18 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1146","0.0612","","","0.1418","0.1682","","","","","","1.006","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242102","26.608","0.006","13.302","0.002","21.946","0.004","90","","111.863","0.007","90","","7209","2","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cu N6 O10 -","- C38 H28 Cu N6 O10 -","- C304 H224 Cu8 N48 O80 -","8","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1486","0.0532","","","0.1125","0.1499","","","","","","0.926","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242103","23.655","0.004","8.6269","0.0013","17.55","0.003","90","","91.319","0.003","90","","3580.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 Ni O8 -","- C40 H38 N4 Ni O8 -","- C160 H152 N16 Ni4 O32 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.083","0.0662","","","0.174","0.1865","","","","","","1.058","","","","has coordinates,has disorder","262568","2021-03-05","01:45:30",""
"7242112","18.5939","0.0008","7.6992","0.0003","14.9541","0.0007","90","","90","","90","","2140.8","0.16","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C88 H80 N16 Ni4 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0254","0.0226","","","0.0525","0.0536","","","","","","1.03","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242113","5.5521","0.0017","10.63","0.003","10.978","0.003","66.111","0.004","87.833","0.005","80.289","0.005","583.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0438","0.0381","","","0.1226","0.1391","","","","","","1.209","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242114","11.0003","0.0006","12.7408","0.0007","15.3439","0.0008","103.41","0.001","108.677","0.001","95.755","0.001","1945.82","0.18","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.055","0.0492","","","0.1383","0.1408","","","","","","1.212","","","","has coordinates,has disorder","262585","2021-03-05","01:48:29",""
"7242115","12.4014","0.0007","13.6927","0.0007","12.6869","0.0006","90","","105.129","0.002","90","","2079.68","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C88 H80 Co4 N16 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0604","0.0504","","","0.1761","0.1835","","","","","","1.076","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242116","9.031","0.005","9.063","0.006","16.232","0.01","96.661","0.009","92.025","0.009","111.918","0.008","1219.7","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Co N6 O4 -","- C28 H23 Co N6 O4 -","- C56 H46 Co2 N12 O8 -","2","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0472","0.0409","","","0.1113","0.1168","","","","","","1.037","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242117","15.3304","0.0016","17.4349","0.0018","15.9678","0.0018","90","","90","","90","","4267.9","0.8","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C176 H160 N32 Ni8 O40 -","8","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0837","0.0466","","","0.1066","0.1256","","","","","","1.06","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242124","13.0566","0.0003","13.1211","0.0003","15.1852","0.0003","92.7541","0.0018","96.9186","0.0018","94.0236","0.0018","2571.98","0.1","210.05","0.1","210.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0666","0.0581","","","0.1717","0.1837","","","","","","1.044","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242125","6.8417","0.0003","12.7268","0.0006","15.2879","0.0006","104.555","0.004","99.233","0.003","98.058","0.004","1248.84","0.1","100.05","0.1","100.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C56 H80 O8 -","1","0.5","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0463","0.0363","","","0.0895","0.0973","","","","","","1.018","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242126","12.9716","0.0003","13.0379","0.0003","14.9706","0.0003","95.6026","0.0016","92.8626","0.0016","94.0129","0.0016","2509.48","0.1","99.8","0.4","99.8","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0411","0.0359","","","0.0935","0.0981","","","","","","1.037","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242127","12.6612","0.0004","14.1198","0.0003","15.7544","0.0004","104.714","0.002","96.728","0.002","99.499","0.002","2649.14","0.13","250","0.14","250","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0844","0.0748","","","0.246","0.2636","","","","","","1.065","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242128","25.3668","0.0002","25.3668","0.0002","15.1922","0.0002","90","","90","","90","","9775.79","0.17","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Eu N O7 -","- C14 H8 Eu N O7 -","- C224 H128 Eu16 N16 O112 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0503","0.0473","","","0.1809","0.1843","","","","","","1.086","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242129","25.3649","0.0001","25.3649","0.0001","15.2716","0.0001","90","","90","","90","","9825.41","0.08","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 N O7 Tb -","- C14 H8 N O7 Tb -","- C224 H128 N16 O112 Tb16 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0642","0.0607","","","0.2499","0.2579","","","","","","1.105","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242130","13.4885","0.0001","11.1767","0.0001","16.4909","0.0002","90","","98.544","0.001","90","","2458.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0323","0.0304","","","0.0765","0.0778","","","","","","1.054","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242131","7.1366","0.0002","10.7767","0.0003","16.6259","0.0004","90","","100.221","0.002","90","","1258.39","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl N2 O2 S -","- C11 H15 Cl N2 O2 S -","- C44 H60 Cl4 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0365","0.0308","","","0.075","0.08","","","","","","1.042","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242132","10.8235","0.0005","11.2124","0.0005","12.3443","0.0005","90.05","0.003","108.737","0.004","114.559","0.004","1274.54","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","0.71073","MoKα","","0.0539","0.0408","","","0.1043","0.1142","","","","","","1.049","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242133","7.0472","0.0002","10.7489","0.0002","16.9533","0.0004","90","","99.109","0.002","90","","1268.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.5418","CuKα","","0.0326","0.0291","","","0.0708","0.0735","","","","","","1.047","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242134","8.972","0.006","7.067","0.005","16.369","0.01","90","","94.273","0.011","90","","1035","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide tetrahydrate","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0616","0.0433","","","0.1122","0.1237","","","","","","1.014","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242135","15.358","0.006","7.426","0.003","15.144","0.006","90","","111.743","0.007","90","","1604.3","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6-diamino-1,3-dihydroxy-2-oxo-2,3-dihydro-1,3,5-triazin-1-ium nitrate","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1017","0.05","","","0.1118","0.1379","","","","","","0.985","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242136","7.055","0.003","8.868","0.004","9.776","0.004","86.644","0.007","69.909","0.007","87.122","0.008","573.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide pentahydrate","","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","1","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1594","0.1089","","","0.2548","0.3113","","","","","","0.908","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242137","13.067","0.003","14.398","0.003","6.5342","0.0013","90","","90","","90","","1229.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,6-diamino-3-hydroxy-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide hemihydrate","","- C6 H12 N10 O7 -","- C6 H12 N10 O7 -","- C24 H48 N40 O28 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1057","0.052","","","0.0962","0.1123","","","","","","0.881","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242138","10.619","0.002","7.138","0.0014","14.224","0.003","90","","103.238","0.003","90","","1049.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide tetrahydrate","","- C3 H12 N5 Na O7 -","- C3 H12 N5 Na O7 -","- C12 H48 N20 Na4 O28 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0546","0.0382","","","0.09","0.0975","","","","","","0.96","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242139","13.776","0.007","3.764","0.002","12.796","0.006","90","","90","","90","","663.5","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","potassium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide","","- C3 H5 K N6 O2 -","- C3 H5 K N6 O2 -","- C12 H20 K4 N24 O8 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0911","0.0507","","","0.0764","0.0876","","","","","","0.833","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242140","4.0471","0.0009","11.869","0.003","16.879","0.004","90","","91.091","0.004","90","","810.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide dihydrate","","- C3 H10 N6 O4 -","- C3 H10 N6 O4 -","- C12 H40 N24 O16 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0407","0.0341","","","0.0873","0.0924","","","","","","1.024","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242141","9.2305","0.0009","7.0126","0.0007","27.175","0.002","90","","90","","90","","1759","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","potassium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide . 2.5H2O","","- C6 H18 K2 N10 O11 -","- C6 H18 K2 N10 O11 -","- C24 H72 K8 N40 O44 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0525","0.0423","","","0.1287","0.136","","","","","","1.057","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242142","7.448","0.003","8.709","0.004","10.072","0.004","114.164","0.006","94.456","0.006","107.497","0.007","553.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-triamino-1,3-dihydroxy-1,3,5-triazine-1,3-diium dinitrate monohydrate","","- C3 H10 N8 O9 -","- C3 H10 N8 O9 -","- C6 H20 N16 O18 -","2","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1059","0.0591","","","0.1427","0.1732","","","","","","1.002","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242143","6.635","0.003","13.288","0.006","10.347","0.002","90","","96.915","0.018","90","","905.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-3-hydroxy-1,3,5-triazin-3-ium-1-oxide nitrate monohydrate","","- C3 H9 N7 O6 -","- C3 H9 N7 O6 -","- C12 H36 N28 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1915","0.0627","","","0.1183","0.1575","","","","","","0.767","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242155","11.7035","0.0003","11.3841","0.0003","25.252","0.0007","90","","94.194","0.001","90","","3355.41","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 N10 Ni2 O6 -","- C27 H44 N10 Ni2 O6 -","- C108 H176 N40 Ni8 O24 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0519","0.0405","","","0.1046","0.1095","","","","","","1.104","","","","has coordinates,has disorder","263727","2021-04-05","14:34:50",""
"7242156","11.5492","0.0004","12.424","0.0003","21.6851","0.0006","90","","90","","90","","3111.54","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N10 Ni2 O5 -","- C26 H40 N10 Ni2 O5 -","- C104 H160 N40 Ni8 O20 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0275","0.026","","","0.0555","0.056","","","","","","1.063","","","","has coordinates","263727","2021-04-05","14:34:50",""
"7242157","10.8408","0.0011","11.1512","0.0011","11.3568","0.0011","84.292","0.005","75.957","0.005","69.533","0.005","1247.6","0.2","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0889","0.055","","","0.1465","0.1637","","","","","","1.073","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242158","9.93","0.007","11.296","0.008","11.859","0.009","87.742","0.01","83.324","0.009","65.023","0.009","1197.6","1.5","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole, 1,3-bis(4'-pyridyl)-2,4-bis(phenyl)cyclobutane hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.2288","0.1069","","","0.2422","0.2896","","","","","","0.937","","","","has coordinates","262571","2021-03-05","01:46:00",""
"7242159","10.6906","0.0011","11.0302","0.0011","11.085","0.0011","84.721","0.005","76.416","0.005","70.095","0.002","1194.6","0.2","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0704","0.0488","","","0.1089","0.123","","","","","","1.021","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242160","8.0382","0.0003","12.2095","0.0004","14.6675","0.0006","101.51","0.003","90.312","0.003","97.846","0.003","1396.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 Dy N2 O5 -","- C28 H24 Cl3 Dy N2 O5 -","- C56 H48 Cl6 Dy2 N4 O10 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.0811","0.0872","","","","","","1.033","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242161","8.1546","0.0005","12.2361","0.0007","14.7108","0.0008","101.392","0.002","90.257","0.002","98.318","0.002","1422.97","0.14","299","2","299.12","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 N2 O5 Tb -","- C28 H24 Cl3 N2 O5 Tb -","- C56 H48 Cl6 N4 O10 Tb2 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","","0.71073","MoKα","","0.0479","0.032","","","0.0656","0.0709","","","","","","1.035","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242162","7.6162","0.0002","9.0782","0.0002","33.1663","0.0009","97.562","0.002","91.13","0.002","93.405","0.002","2268.33","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(2-methyl-5-(4-undecyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C49 H62 F6 O2 S2 -","- C49 H62 F6 O2 S2 -","- C98 H124 F12 O4 S4 -","2","1","","Higashiguchi, Takuya; Kitagawa, Daichi; Kobatake, Seiya","Anisotropic bending and twisting behaviour of a twin crystal composed of a diarylethene","CrystEngComm","2021","23","34","5795","5800","10.1039/D0CE01705A","","","0.71075","MoKα","","0.0667","0.0578","","","0.1514","0.1582","","","","","","1.13","","","","has coordinates","268692","2021-09-06","10:33:11",""
"7242166","16.369","0.003","17.804","0.003","25.19","0.007","90","","90","","90","","7341","3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H52 Ba3 N2 O16 -","- C64 H52 Ba3 N2 O16 -","- C256 H208 Ba12 N8 O64 -","4","1","","Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu","A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption","CrystEngComm","2021","23","3","663","670","10.1039/D0CE01604G","","","0.71073","MoKα","","0.0356","0.0341","","","0.1067","0.1082","","","","","","1.077","","","","has coordinates","261246","2021-01-27","02:40:29",""
"7242167","8.632","0.007","19.326","0.019","12.434","0.008","90","","97.75","0.03","90","","2055","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C62 H90 Co2 N10 O8 P4 S8 -","2","1","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1152","0.068","","","0.1507","0.1737","","","","","","0.958","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242168","24.5759","0.0011","39.5254","0.0018","7.5072","0.0003","90","","90","","90","","7292.3","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C240 H352 Co8 N48 O32 P16 S32 -","8","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0199","0.0197","","","0.0545","0.0546","","","","","","1.113","","","","has coordinates","263719","2021-04-05","14:33:10",""
"7242169","23.624","0.005","9.1342","0.0019","18.34","0.004","90","","102.254","0.008","90","","3867.4","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C124 H180 Co4 N20 O16 P8 S16 -","4","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1191","0.061","","","0.1456","0.177","","","","","","1.035","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242170","12.6723","0.0006","19.8452","0.0009","7.445","0.0004","90","","90","","90","","1872.3","0.16","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C60 H88 Co2 N12 O8 P4 S8 -","2","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0227","0.0221","","","0.0587","0.0591","","","","","","1.074","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242171","27.2403","0.001","27.2403","0.001","31.01","0.002","90","","90","","120","","19927.7","1.6","296","2","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H24 N6 Ru Se9 Sn4 -","- C30 H24 N6 Ru Se9 Sn4 -","- C540 H432 N108 Ru18 Se162 Sn72 -","18","1","","Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen","Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response","CrystEngComm","2021","23","9","1881","1884","10.1039/D0CE01685C","","","0.71073","MoKα","","0.0317","0.0293","","","0.0711","0.0726","","","","","","1.031","","","","has coordinates","263723","2021-04-05","14:34:11",""
"7242172","8.677","0.002","9.036","0.004","10.283","0.004","77.57","0.03","78.49","0.03","78.96","0.019","762.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N13 O6 -","- C9 H13 N13 O6 -","- C18 H26 N26 O12 -","2","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","synchrotron","","0.0448","0.0391","","","0.099","0.1044","","","","","","1.0697","","","","has coordinates","263724","2021-04-05","14:34:19",""
"7242173","21.16","0.05","13.182","0.009","11.89","0.02","90","","105.45","0.18","90","","3197","10","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N30 O11.5 -","- C16 H29 N30 O11.5 -","- C64 H116 N120 O46 -","4","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","GaKα","","0.1039","0.0769","","","0.2011","0.2248","","","","","","1.043","","","","has coordinates","263724","2021-04-05","14:34:28",""
"7242174","8.7512","0.0006","9.7054","0.0006","12.4718","0.0009","67.684","0.006","74.454","0.006","65.499","0.006","883.98","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","1","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0431","0.0333","","","0.0768","0.0824","","","","","","1.056","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242175","12.3838","0.0006","7.2105","0.0003","20.8942","0.0009","90","","105.847","0.005","90","","1794.81","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C64 H64 N8 O40 Zn4 -","4","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0276","0.025","","","0.063","0.0645","","","","","","1.11","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242176","9.3282","0.0005","9.0226","0.0005","9.2963","0.0005","90","","95.931","0.006","90","","778.23","0.07","298","2","298","","100","","100","","","","UFMG","5","P 1 21/c 1","-P 2ybc","14","Cufenox","","","- C16 H12 Cu N2 O8 -","- C16 H12 Cu N2 O8 -","- C32 H24 Cu2 N4 O16 -","2","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01457","2.674","","","","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242177","17.8273","0.0006","17.8273","0.0006","17.8273","0.0006","90","","90","","90","","5665.7","0.3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C2 H12 N6 O4 S -","- C2 H12 N6 O4 S -","- C40 H240 N120 O80 S20 -","20","0.833333","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0384","0.0371","","","0.1163","0.1178","","","","","","1.199","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242178","7.1728","0.0004","11.1002","0.0007","19.361","0.0012","90","","100.265","0.002","90","","1516.84","0.16","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O10 S2 -","- C22 H38 N8 O10 S2 -","- C44 H76 N16 O20 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.039","0.0336","","","0.0762","0.0785","","","","","","1.025","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242179","10.8776","0.0004","10.8776","0.0004","20.4184","0.0007","90","","90","","90","","2415.95","0.15","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C9 H34 N10 O8 S2 -","- C9 H34 N10 O8 S2 -","- C36 H136 N40 O32 S8 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0268","0.0254","","","0.062","0.0628","","","","","","1.09","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242180","26.0251","0.0008","22.0693","0.0006","12.5545","0.0004","90","","90","","90","","7210.7","0.4","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H87 N34 O26.5 S6 -","- C21 H87 N34 O26.5 S6 -","- C84 H348 N136 O106 S24 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0642","0.0482","","","0.1309","0.142","","","","","","1.045","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242181","12.3826","0.0009","11.1225","0.0007","7.7723","0.0005","90","","102.385","0.002","90","","1045.53","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H26 N10 O9 S2 -","- C8 H26 N10 O9 S2 -","- C16 H52 N20 O18 S4 -","2","0.5","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0223","0.0216","","","0.055","0.0554","","","","","","1.076","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242182","7.4737","0.0006","11.8491","0.0011","13.0179","0.0013","90","","93.723","0.003","90","","1150.39","0.18","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H28 N10 O9 S2 -","- C9 H28 N10 O9 S2 -","- C18 H56 N20 O18 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.034","0.0297","","","0.068","0.0701","","","","","","1.056","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242183","10.0469","0.001","10.0469","0.001","17.318","0.0017","90","","90","","120","","1513.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C8 H24 N10 O8 S2 -","- C7.9998 H24 N10.0002 O8 S2 -","- C23.9994 H72 N30.0006 O24 S6 -","3","0.166667","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0265","0.0257","","","0.0629","0.0632","","","","","","1.091","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242191","11.1974","0.0003","12.7343","0.0003","12.9086","0.0003","64.468","0.001","73.24","0.001","64.474","0.001","1486.83","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 N7 O6 S Zn -","- C30 H25 N7 O6 S Zn -","- C60 H50 N14 O12 S2 Zn2 -","2","1","","Yao, Shu-Li; Xiong, Yu-Chen; Tian, Xue-Mei; Liu, Sui-Jun; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Wen, He-Rui","A multifunctional benzothiadiazole-based fluorescence sensor for Al3+, Cr3+ and Fe3+","CrystEngComm","2021","23","9","1898","1905","10.1039/D1CE00060H","","","0.71073","MoKα","","0.0553","0.0405","","","0.0945","0.1034","","","","","","1.016","","","","has coordinates","263722","2021-04-05","14:34:03",""
"7242192","11.6686","0.0018","4.5292","0.0007","25.933","0.004","90","","102.908","0.005","90","","1335.9","0.4","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1034","0.093","","","0.2381","0.243","","","","","","1.249","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242193","14.522","0.003","12.084","0.003","8.162","0.002","90","","90","","90","","1432.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.0477","0.0444","","","0.108","0.1111","","","","","","1.087","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242194","14.293","0.005","7.17","0.003","23.932","0.008","90","","92.238","0.011","90","","2450.7","1.6","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F5 N O -","- C15 H6 F5 N O -","- C120 H48 F40 N8 O8 -","8","2","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1561","0.0845","","","0.1691","0.1946","","","","","","1.089","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242195","17.672","0.002","18.819","0.003","26.029","0.004","80.998","0.002","72.959","0.002","65.534","0.002","7527.1","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H198 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0749","0.0459","","","0.0918","0.1051","","","","","","1.006","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242196","21.182","0.004","16.487","0.003","28.78","0.004","90","","130.213","0.009","90","","7675","2","296","2","296","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C60 H104 Cl0 Cu5 N20 Na O134 P5 W30 -","- C60 H52 Cu5 N20 Na O134 P5 W30 -","- C120 H104 Cu10 N40 Na2 O268 P10 W60 -","2","1","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0654","0.0552","","","0.1295","0.1353","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242197","29.418","0.005","21.615","0.004","25.107","0.004","90","","99.316","0.003","90","","15754","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 N20 Na O129 P5 W30 Zn3 -","- C60 H56 N20 Na O129 P5 W30 Zn3 -","- C240 H224 N80 Na4 O516 P20 W120 Zn12 -","4","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0903","0.054","","","0.1081","0.1217","","","","","","1.042","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242198","16.234","0.006","16.833","0.006","17.107","0.007","67.181","0.006","64.121","0.006","82.689","0.007","3872","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H88 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0725","0.0447","","","0.1","0.1146","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242199","35.3301","0.0011","10.8822","0.0003","7.5873","0.0002","90","","90","","90","","2917.08","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C112 H128 N48 O32 -","8","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.0743","0.0467","","","0.0941","0.1078","","","","","","1.077","","","","has coordinates","263734","2021-04-05","14:36:29",""
"7242200","7.0401","0.0002","21.032","0.0008","12.0394","0.0005","90","","90.15","0.012","90","","1782.64","0.11","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N7 O4 -","- C17 H21 N7 O4 -","- C68 H84 N28 O16 -","4","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.1197","0.0578","","","0.1155","0.1435","","","","","","1.047","","","","has coordinates,has disorder","263734","2021-04-05","14:36:29",""
"7242209","9.6704","0.0008","18.4228","0.0016","6.7919","0.0006","90","","100.184","0.002","90","","1190.95","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 Nd2 O14 -","- C22 H14 N6 Nd2 O14 -","- C44 H28 N12 Nd4 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0308","0.0242","","","0.056","0.0585","","","","","","1.021","","","","has coordinates","263735","2021-04-05","14:36:35",""
"7242210","9.5741","0.0008","18.3271","0.0015","6.7762","0.0006","90","","100.057","0.001","90","","1170.72","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Eu2 N6 O14 -","- C22 H14 Eu2 N6 O14 -","- C44 H28 Eu4 N12 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.022","0.0203","","","0.0454","0.0461","","","","","","1.085","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242211","9.6045","0.001","18.37","0.002","6.7842","0.0007","90","","100.076","0.0018","90","","1178.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 O14 Sm2 -","- C22 H14 N6 O14 Sm2 -","- C44 H28 N12 O28 Sm4 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0363","0.0266","","","0.0613","0.0655","","","","","","0.975","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242212","16.154","0.0015","7.1493","0.0007","23.597","0.002","90","","103.89","0.003","90","","2645.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br4 N8 O5 -","- C52.0064 H50.016 Br4 N8 O5.0016 -","- C104.013 H100.032 Br8 N16 O10.0032 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0489","0.0461","","","0.1361","0.1412","","","","","","1.083","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242213","7.6814","0.0017","14.159","0.003","22.547","0.005","90","","91.184","0.006","90","","2451.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Br4 N8 O4 -","- C56 H50 Br4 N8 O4 -","- C112 H100 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0311","0.0297","","","0.0849","0.0859","","","","","","1.013","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242214","7.6473","0.0012","14.096","0.002","22.535","0.004","90","","91.643","0.004","90","","2428.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0475","0.041","","","0.1258","0.144","","","","","","1.284","","","","has coordinates","262588","2021-03-05","01:48:57",""
"7242215","7.6615","0.0006","14.1104","0.0011","22.4415","0.0017","90","","91.574","0.002","90","","2425.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br4 N8 O4 -","- C56 H48 Br4 N8 O4 -","- C112 H96 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0284","0.0269","","","0.0749","0.076","","","","","","1.038","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242216","7.4001","0.0001","26.1446","0.0006","10.7253","0.0002","90","","93.977","0.001","90","","2070.06","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","2","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0754","0.0517","","","0.1457","0.1652","","","","","","1.037","","","","has coordinates","262592","2021-03-05","01:49:27",""
"7242217","17.4483","0.0006","6.0743","0.0002","7.2533","0.0002","90","","96.229","0.003","90","","764.21","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-cresol_oxalic acid","","- C8 H9 O3 -","- C8 H9 O3 -","- C32 H36 O12 -","4","1","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0531","0.0454","","","0.0999","0.104","","","","","","1.054","","","","has coordinates,has disorder","262592","2021-03-05","01:49:27",""
"7242233","6.2882","0.0002","22.9444","0.0005","9.3448","0.0002","90","","96.832","0.002","90","","1338.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tert-butyl 3,6-bis(4-methoxyphenyl)-1,4-dioxopyrrolo[3,4- c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C60 H64 N4 O16 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","0.6889","synchrotron","","0.0645","0.0479","","","0.1168","0.1237","","","","","","1.08","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242234","11.49","0.0002","10.8917","0.0001","11.4382","0.0002","90","","103.253","0.001","90","","1393.32","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-methoxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0899","0.0914","","","","","","1.037","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242235","11.3208","0.0002","8.58917","0.00016","13.192","0.0003","90","","108.388","0.002","90","","1217.25","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-hydroxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C56 H64 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.0997","0.1042","","","","","","1.06","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242236","12.4391","0.0017","15.1213","0.0015","9.5874","0.0008","90","","96.47","0.01","90","","1791.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C80 H104 N4 O12 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1027","0.085","","","0.2398","0.2621","","","","","","1.069","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242237","16.4073","0.0009","10.3312","0.0004","21.7327","0.001","90","","91.113","0.005","90","","3683.2","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Di-tert-butyl 3,6-bis(4-((tert-butoxycarbonyl)oxy)phenyl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C38 H44 N2 O12 -","- C38 H44 N2 O12 -","- C152 H176 N8 O48 -","4","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.053","0.0452","","","0.1122","0.1184","","","","","","1.031","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242238","5.2797","0.0014","7.831","0.002","16.028","0.003","76.61","0.02","85.29","0.02","76.64","0.02","626.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dihexyl-3,6-bis(4-hydroxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","1","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1663","0.088","","","0.1686","0.2184","","","","","","0.983","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242239","11.036","0.0008","11.6239","0.0006","11.4808","0.001","90","","118.259","0.011","90","","1297.2","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-methoxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C60 H72 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0541","0.0525","","","0.1382","0.1411","","","","","","1.044","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242240","12.428","0.003","13.933","0.003","18.288","0.004","90","","90","","90","","3166.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Ca N2 O15 -","- C22 H50 Ca N2 O15 -","- C88 H200 Ca4 N8 O60 -","4","1","","Han, Dandan; Du, Shichao; Wu, Songgu; Ouyang, Ruiling; Gong, Junbo","Optimizing the morphology of calcium d-pantothenate by controlling phase transformation processes","CrystEngComm","2021","23","10","2162","2173","10.1039/D0CE01803A","","","0.71073","MoKα","","0.1205","0.0777","","","0.1636","0.1847","","","","","","1.031","","","","has coordinates","263718","2021-04-05","14:32:58",""
"7242241","13.1851","0.0003","11.0699","0.0003","8.081","0.0002","90","","102.35","0.0011","90","","1152.19","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag Cl2 N3 O4 -","- C8 H6 Ag Cl2 N3 O4 -","- C32 H24 Ag4 Cl8 N12 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0608","0.0372","","","0.076","0.0838","","","","","","1.057","","","","has coordinates,has disorder","263729","2021-04-05","14:35:09",""
"7242242","3.804","0.0012","7.186","0.002","20.386","0.006","97.28","0.02","93.93","0.02","98.52","0.02","544.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Br N4 O3 -","- C8 H6 Ag Br N4 O3 -","- C16 H12 Ag2 Br2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.1532","0.0556","","","0.0747","0.094","","","","","","1","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242243","3.7261","0.0002","7.1007","0.0004","19.4928","0.0011","97.342","0.003","94.485","0.003","98.505","0.003","503.4","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag F N4 O3 -","- C8 H6 Ag F N4 O3 -","- C16 H12 Ag2 F2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0487","0.0383","","","0.0979","0.1038","","","","","","1.071","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242244","8.0342","0.0006","21.6112","0.0015","12.453","0.0009","90","","90.03","","90","","2162.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag Cl I2 N6 O4 -","- C16 H12 Ag Cl I2 N6 O4 -","- C64 H48 Ag4 Cl4 I8 N24 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0624","0.0393","","","0.0783","0.0821","","","","","","1.007","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242245","9.3818","0.0002","7.9318","0.0001","33.2918","0.0006","90","","90","","90","","2477.39","0.08","277","2","277","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Ag Br Cl N3 O4 -","- C8 H6 Ag Br Cl N3 O4 -","- C64 H48 Ag8 Br8 Cl8 N24 O32 -","8","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0403","0.034","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242246","3.7598","0.0005","7.1464","0.001","20.287","0.003","97.388","0.003","94.146","0.003","98.6","0.002","532.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Cl N4 O3 -","- C8 H6 Ag Cl N4 O3 -","- C16 H12 Ag2 Cl2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0717","0.0573","","","0.1447","0.1554","","","","","","1.068","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242247","13.157","0.009","11.92","0.008","19.644","0.013","90","","108.564","0.018","90","","2920","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N4 O6 Zn2 -","- C26 H40 N4 O6 Zn2 -","- C104 H160 N16 O24 Zn8 -","4","0.5","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.1389","0.0884","","","0.2427","0.2866","","","","","","0.989","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242248","8.3694","0.0013","11.2558","0.0018","15.878","0.003","104.975","0.004","101.287","0.004","97.972","0.004","1388.5","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N10 O2 Zn2 -","- C22 H34 N10 O2 Zn2 -","- C44 H68 N20 O4 Zn4 -","2","1","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.0812","0.051","","","0.1327","0.1628","","","","","","1.055","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242250","10.1788","0.0003","10.1788","0.0003","6.0633","0.0002","90","","90","","120","","544.04","0.03","300","2","300","2","","","","","","","","5","P 63","P 6c","173","","","","- Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 -","- Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825 -","- Cd0.746 Cl2.07 Ga2.0008 La6 S11.93 -","4","0.666667","","Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang","La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold","CrystEngComm","2021","23","10","2133","2137","10.1039/D0CE01852J","","","0.71073","MoKα","","0.0182","0.0165","","","0.0348","0.0352","","","","","","1.122","","","","has coordinates,has disorder","265937","2021-06-05","18:06:28",""
"7242261","23.723","0.002","18.8503","0.0019","15.0119","0.0013","90","","102.003","0.004","90","","6566.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4.5 O12 Zn2 -","- C34 H24 N4.5 O12 Zn2 -","- C272 H192 N36 O96 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.0791","0.0565","","","0.1383","0.1554","","","","","","1.075","","","","has coordinates,has disorder","263732","2021-04-05","14:35:47",""
"7242262","24.717","0.003","19.189","0.003","15.197","0.002","90","","105.906","0.006","90","","6931.9","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 N4.5 O10.5 Zn2 -","- C37 H26.5 N4.5 O10.5 Zn2 -","- C296 H212 N36 O84 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1351","0.0826","","","0.185","0.2313","","","","","","1.133","","","","has coordinates,has disorder","263732","2021-04-05","14:35:57",""
"7242263","24.379","0.002","18.81","0.002","15.0638","0.0013","90","","104.484","0.004","90","","6688.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22.5 Br1.5 N3 O8 Zn2 -","- C34 H20.5 Br1.5 N3 O8 Zn2 -","- C272 H164 Br12 N24 O64 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1176","0.077","","","0.1804","0.2069","","","","","","1.119","","","","has coordinates,has disorder","263732","2021-04-05","14:35:59",""
"7242264","24.8175","0.0017","19.1673","0.0017","15.1781","0.0011","90","","106.266","0.004","90","","6931","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 Br1.5 N3 O7.5 Zn2 -","- C37 H26.5 Br1.5 N3 O7.5 Zn2 -","- C296 H212 Br12 N24 O60 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.089","0.0719","","","0.1665","0.1826","","","","","","1.067","","","","has coordinates,has disorder","263732","2021-04-05","14:36:08",""
"7242268","14.0266","0.001","24.0079","0.0016","16.5999","0.0012","90","","100.791","0.002","90","","5491.2","0.7","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C128 H128 Cu8 Ge2 N32 O80 S32 W24 -","2","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1851","0.0695","","","0.1238","0.161","","","","","","1.003","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242269","12.374","0.003","15.539","0.004","19.761","0.005","86.897","0.005","87.383","0.005","69.637","0.005","3555.5","1.6","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0942","0.0498","","","0.0926","0.1084","","","","","","0.958","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242270","12.315","0.003","15.474","0.004","19.504","0.005","86.664","0.005","87.32","0.005","69.631","0.005","3477","1.5","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1395","0.0565","","","0.1007","0.1282","","","","","","0.968","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242271","24.4397","0.0007","14.9911","0.0007","23.8988","0.0009","90","","116.637","0.001","90","","7826.7","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 B Cu2 N16 O43 W12 -","- C44 H68 B Cu2 N16 O43 W12 -","- C176 H272 B4 Cu8 N64 O172 W48 -","4","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0354","0.0257","","","0.0508","0.0534","","","","","","1.03","","","","has coordinates","263738","2021-04-05","14:37:38",""
"7242272","12.3151","0.0019","15.487","0.002","19.695","0.003","86.76","0.004","87.368","0.004","69.774","0.003","3517.7","0.9","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1893","0.0707","","","0.1381","0.1806","","","","","","0.924","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242273","8.0137","0.0009","11.6967","0.0013","13.9362","0.0015","72.124","0.001","81.673","0.001","78.364","0.001","1212.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","br-kz-br","","- C28 H21 Br2 N3 -","- C28 H21 Br2 N3 -","- C56 H42 Br4 N6 -","2","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0873","0.0932","","","","","","1.049","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242274","7.3087","0.0004","11.598","0.0007","14.7149","0.0008","98.253","0.005","93.797","0.005","100.037","0.005","1210.18","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","1","0.5","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","1.54186","CuKα","","0.0481","0.0361","","","0.0887","0.094","","","","","","0.946","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242275","17.509","0.009","12.679","0.007","12.592","0.007","90","","105.956","0.007","90","","2688","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zhu06","brkznbr2","","- C30 H27 Br N4 -","- C30 H27 Br N4 -","- C120 H108 Br4 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0933","0.0701","","","0.2071","0.2285","","","","","","1.039","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242276","17.292","0.004","13.172","0.003","12.572","0.003","90","","106.655","0.002","90","","2743.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0861","0.0573","","","0.1714","0.1866","","","","","","1.104","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242277","14.9068","0.0015","13.0177","0.0013","12.5244","0.0013","90","","108.611","0.001","90","","2303.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","kzben","kzben","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0588","0.047","","","0.1352","0.1497","","","","","","1.041","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242278","7.3602","0.0003","10.9308","0.0003","20.5402","0.0008","90","","97.231","0.003","90","","1639.38","0.1","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl Fe Hg N O S2 -","- C14 H16 Cl Fe Hg N O S2 -","- C56 H64 Cl4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0546","0.0571","","","","","","1.051","","","","has coordinates","263736","2021-04-05","14:36:43",""
"7242279","11.8081","0.0002","7.406","0.0001","19.7888","0.0003","90","","97.731","0.002","90","","1714.82","0.05","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Fe Hg I N O S2 -","- C14 H16 Fe Hg I N O S2 -","- C56 H64 Fe4 Hg4 I4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","1.54184","CuKα","","0.0504","0.0471","","","0.1349","0.1378","","","","","","1.031","","","","has coordinates,has disorder","263736","2021-04-05","14:36:44",""
"7242280","7.4965","0.0003","10.9988","0.0004","20.2524","0.0008","90","","90","","90","","1669.86","0.11","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H16 Br Fe Hg N O S2 -","- C14 H16 Br Fe Hg N O S2 -","- C56 H64 Br4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0527","0.0537","","","","","","1.069","","","","has coordinates","263736","2021-04-05","14:36:44",""
"7242281","10.9041","0.0005","12.2722","0.0005","13.4566","0.0005","69.298","0.004","78.815","0.004","88.35","0.004","1650.91","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O14 -","- C31 H35 N5 O14 -","- C62 H70 N10 O28 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0582","0.0479","","","0.1289","0.1402","","","","","","1.018","","","","has coordinates,has disorder","265973","2021-06-05","18:13:55",""
"7242282","8.3259","0.0002","12.0387","0.0003","12.3941","0.0003","83.826","0.002","85.681","0.002","83.373","0.002","1224.35","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0527","0.0427","","","0.1076","0.1169","","","","","","1.027","","","","has coordinates","265973","2021-06-05","18:13:56",""
"7242296","22.2701","0.0006","22.2701","0.0006","13.1106","0.0004","90","","90","","120","","5631.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H14 N6 O11 S Zn3 -","- C27 H14 N6 O11 S Zn3 -","- C162 H84 N36 O66 S6 Zn18 -","6","1","","Li, Le-Qian; Yao, Shu-Li; Tian, Xue-Mei; Zheng, Teng-Fei; Li, Jin-Yan; Liu, Sui-Jun; Chen, Jing-Lin; Yu, Mei-Hui; Wen, He-Rui","A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal‒organic framework with new topology","CrystEngComm","2021","23","13","2532","2537","10.1039/D1CE00127B","","","0.71073","MoKα","","0.0807","0.0766","","","0.2091","0.2146","","","","","","1.033","","","","has coordinates","265969","2021-06-05","18:13:00",""
"7242306","36.4661","0.0005","36.4661","0.0005","36.4661","0.0005","90","","90","","90","","48491.8","1.2","293","","293","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C2304 H1728 O384 -","96","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0634","0.0537","","","0.1678","0.1811","","","","","","1.072","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242307","20.3993","0.0004","8.82171","0.00015","9.7628","0.00017","90","","95.1304","0.0017","90","","1749.84","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0407","0.0392","","","0.1076","0.1093","","","","","","1.078","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242308","20.3982","0.0004","8.72673","0.0002","9.6682","0.0002","90","","95.154","0.002","90","","1714.07","0.06","120.1","0.1","120.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0375","0.0354","","","0.0952","0.0975","","","","","","1.063","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242309","10.4718","0.0006","10.6341","0.0005","11.1086","0.0006","80.52","0.004","82.65","0.005","83.754","0.005","1205.24","0.11","293","","293","","","","","","","","","3","P 1","P 1","1","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C27 H26.5 O6.25 -","- C27 H26.5 O6.25 -","- C54 H53 O12.5 -","2","2","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0994","0.0802","","","0.2037","0.2485","","","","","","1.075","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242310","17.71","0.001","10.746","0.0006","14.6712","0.0009","90","","106.321","0.006","90","","2679.6","0.3","114.6","0.4","114.6","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0423","0.0307","","","0.0734","0.0775","","","","","","1.063","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242311","8.7592","0.0007","9.3448","0.0006","9.8941","0.0007","110.237","0.006","110.252","0.007","103.825","0.006","651.02","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C24 H16 Mn2 N12 O10 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0676","0.0696","","","","","","1.071","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242312","21.4986","0.001","7.1737","0.0003","17.4036","0.0008","90","","93.698","0.004","90","","2678.5","0.2","140","0.7","140","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0657","0.0686","","","","","","1.03","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242313","6.3079","0.0013","10.573","0.002","11.415","0.002","67.21","0.03","78.84","0.03","76.16","0.03","677.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0772","0.0606","","","0.162","0.1746","","","","","","1.058","","","","has coordinates,has disorder","265966","2021-06-05","18:12:25",""
"7242314","5.9981","0.0012","11.148","0.002","12.073","0.002","108.98","0.03","101.57","0.03","105.27","0.03","699.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O3 -","- C15 H15 F N2 O3 -","- C30 H30 F2 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0733","0.0482","","","0.1073","0.1198","","","","","","1.031","","","","has coordinates,has disorder","265966","2021-06-05","18:12:26",""
"7242315","13.3082","0.0008","11.9672","0.0008","17.9425","0.0011","90","","90","","90","","2857.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 I2 N2 -","- C10 H20 I2 N2 -","- C80 H160 I16 N16 -","8","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.045","0.0314","","","0.0415","0.0437","","","","","","1.118","","","","has coordinates","263737","2021-04-05","14:37:07",""
"7242316","15.261","0.0019","9.3873","0.0012","31.291","0.004","90","","101.966","0.002","90","","4385.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 I6 N2 O -","- C10 H22 I6 N2 O -","- C80 H176 I48 N16 O8 -","8","2","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.0829","0.0579","","","0.0887","0.0947","","","","","","1.178","","","","has coordinates","263737","2021-04-05","14:37:09",""
"7242317","8.1345","0.0012","8.6866","0.0016","13.065","0.001","95.775","0.009","98.828","0.01","96.093","0.01","900.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.2991","0.052","","","0.1192","0.2235","","","","","","0.596","","","","has coordinates","263737","2021-04-05","14:37:18",""
"7242318","8.15439","0.00012","8.70472","0.00013","13.0978","0.0002","95.739","0.001","98.8219","0.0009","96.07","0.0009","907.14","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","powder diffraction","x-ray","1.54059","CuKa","","0.0259","0.0259","","0.0342","0.0342","","","","1.32","","","","","","","has coordinates","263737","2021-04-05","14:37:20",""
"7242319","16.581","0.006","9.216","0.003","25.101","0.009","90","","90.099","0.011","90","","3836","2","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,5-bis(4-((2,7-diethyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.0616","0.0464","","","0.1073","0.1203","","","","","","1.092","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242320","5.5891","0.0011","56.499","0.012","19.86","0.004","90","","91.756","0.005","90","","6268","2","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C76 H92 S -","- C76 H92 S -","- C304 H368 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.1536","0.1155","","","0.3063","0.3391","","","","","","1.081","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242321","16.5329","0.0004","9.1211","0.0002","24.9977","0.0006","90","","90.694","0.001","90","","3769.33","0.15","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.0945","0.071","","","0.1836","0.2066","","","","","","1.038","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242322","5.6172","0.0004","56.654","0.004","19.3396","0.0013","90","","91.715","0.002","90","","6151.8","0.7","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S -","- C75.608 H91.16 S -","- C302.432 H364.64 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.1874","0.1573","","","0.4883","0.5528","","","","","","1.053","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242324","16.8962","0.0013","15.3037","0.0013","19.884","0.0015","90","","100.126","0.002","90","","5061.4","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 Mo8 N12 O36 -","- C24 H32 Cu2 Mo8 N12 O36 -","- C96 H128 Cu8 Mo32 N48 O144 -","4","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0752","0.0393","","","0.0773","0.0897","","","","","","0.991","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242325","17.631","0.002","11.086","0.0013","21.185","0.003","90","","102.41","0.002","90","","4044","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Cu2 Mo8 N6 O35 -","- C15 H30 Cu2 Mo8 N6 O35 -","- C60 H120 Cu8 Mo32 N24 O140 -","4","1","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0325","","","0.0632","0.0719","","","","","","0.989","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242326","8.6017","0.0009","10.1464","0.0012","11.7076","0.0012","103.573","0.002","94.473","0.002","94.334","0.002","985.58","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.1325","0.0522","","","0.0893","0.1144","","","","","","0.917","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242327","8.5646","0.0004","10.2203","0.0005","12.2734","0.0006","104.382","0.001","92.503","0.001","96.492","0.001","1031.11","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0403","0.0299","","","0.0619","0.0667","","","","","","1.02","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242331","11.9399","0.0015","12.4842","0.0014","13.9049","0.0016","93.014","0.004","101.308","0.004","101.102","0.004","1985.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 Cl Dy N5 O8 -","- C35 H39 Cl Dy N5 O8 -","- C70 H78 Cl2 Dy2 N10 O16 -","2","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0742","0.0471","","","0.1021","0.11","","","","","","1.006","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242332","16.3957","0.001","9.7879","0.0006","20.6189","0.0014","90","","110.783","0.002","90","","3093.6","0.3","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Dy N6 O5 -","- C33 H31 Dy N6 O5 -","- C132 H124 Dy4 N24 O20 -","4","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0185","0.0168","","","0.0412","0.0419","","","","","","1.129","","","","has coordinates","265978","2021-06-05","18:16:29",""
"7242333","36.505","0.008","21.596","0.004","27.632","0.006","90","","129.627","0.008","90","","16778","6","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H75 Dy2 N5 O10 -","- C93 H75 Dy2 N5 O10 -","- C744 H600 Dy16 N40 O80 -","8","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0315","0.0236","","","0.0542","0.0567","","","","","","1.052","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242334","34.86","0.006","11.53","0.0019","14.156","0.003","90","","102.602","0.006","90","","5552.7","1.8","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H101 Al3 Mo18 N18 O107 Zn5 -","- C12 H52 Al3 Mo18 N18 O92 Zn5 -","- C24 H104 Al6 Mo36 N36 O184 Zn10 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0443","0.0369","","","0.1009","0.1055","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:51",""
"7242335","10.6722","0.0006","20.4675","0.0011","11.8026","0.0006","90","","106.806","0.001","90","","2468","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H53 Cr Mo6 N4 O40 Zn2 -","- C10 H30 Cr Mo6 N4 O40 Zn2 -","- C20 H60 Cr2 Mo12 N8 O80 Zn4 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0346","0.0301","","","0.0819","0.0836","","","","","","1.084","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242336","5.9548","0.0007","12.6735","0.0015","26.997","0.003","90","","91.812","0.002","90","","2036.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cr Cu2 Mo6 N8 O24 -","- C22 H28 Cr Cu2 Mo6 N8 O24 -","- C44 H56 Cr2 Cu4 Mo12 N16 O48 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.058","0.0399","","","0.0954","0.1033","","","","","","1.015","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242337","10.5413","0.0003","18.9773","0.0006","13.4274","0.0004","90","","113.055","0.001","90","","2471.55","0.13","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H55 Cr Cu2 Mo6 N4 O49 -","- C10 H48 Cr Cu2 Mo6 N4 O49 -","- C20 H96 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0317","0.0253","","","0.0652","0.0677","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242338","13.9321","0.0007","15.22","0.0008","16.7345","0.0009","77.324","0.001","70.349","0.001","80.349","0.001","3243.3","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H126 Cu6 Mo18 N24 O96 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","1","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0937","0.0462","","","0.1039","0.1222","","","","","","1.012","","","","has coordinates","288155","2023-12-07","17:20:22",""
"7242339","10.6306","0.0006","17.2039","0.001","14.0285","0.0008","90","","108.196","0.001","90","","2437.3","0.2","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C20 H52 Co4 Cr2 Mo12 N8 O76 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0693","0.0381","","","0.0841","0.0939","","","","","","1.022","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242343","13.642","0.002","12.843","0.002","13.658","0.002","90","","107.055","0.005","90","","2287.7","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl3 Fe N4 O2 -","- C20 H20 Cl3 Fe N4 O2 -","- C80 H80 Cl12 Fe4 N16 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0475","0.0423","","","0.1266","0.139","","","","","","1.079","","","","has coordinates","262459","2021-03-04","10:33:04",""
"7242344","12.7967","0.001","9.4429","0.0007","17.7657","0.0014","90","","108.017","0.003","90","","2041.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 Fe N6 O2 -","- C18 H17 Br2 Fe N6 O2 -","- C72 H68 Br8 Fe4 N24 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0498","0.0359","","","0.082","0.089","","","","","","1.027","","","","has coordinates","262459","2021-03-04","10:33:05",""
"7242351","12.3623","0.001","22.09","0.002","16.5066","0.0013","90","","107.211","0.002","90","","4305.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H42 N6 O13 S5 Zn3 -","- C30 H42 N6 O13 S5 Zn3 -","- C120 H168 N24 O52 S20 Zn12 -","4","1","","Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd","A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes","CrystEngComm","2021","23","11","2316","2325","10.1039/D0CE01577F","","","0.71073","MoKα","","0.0896","0.0824","","","0.2197","0.227","","","","","","1.0389","","","","has coordinates","263731","2021-04-05","14:35:32",""
"7242352","5.4511","0.0004","8.7712","0.0005","21.3404","0.0012","90","","90.438","0.004","90","","1020.31","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0525","0.0496","","","0.1507","0.1539","","","","","","1.074","","","","has coordinates","268680","2021-09-06","10:31:08",""
"7242353","5.3651","0.0003","9.6939","0.0005","42.693","0.003","90","","90","","90","","2220.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.067","0.0627","","","0.166","0.1686","","","","","","1.037","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242354","5.3605","0.0004","10.0888","0.0008","21.47","0.0016","90","","97.129","0.005","90","","1152.14","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0666","0.0607","","","0.1594","0.165","","","","","","1.076","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242355","7.0826","0.0002","16.1438","0.0004","20.5765","0.0005","90","","90","","90","","2352.72","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0737","0.0712","","","0.214","0.2179","","","","","","1.087","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242356","8.8941","0.0002","11.081","0.0003","25.582","0.0007","90","","93.029","0.001","90","","2517.72","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","2","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0896","0.0875","","","0.2505","0.2544","","","","","","1.044","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242357","6.6418","0.0001","15.8771","0.0003","20.7515","0.0004","90","","90","","90","","2188.3","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C23.9998 H31.9995 O2.9999 -","- C95.9992 H127.998 O11.9996 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0413","0.0405","","","0.1162","0.1174","","","","","","1.033","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242358","6.4082","0.0005","15.89","0.0013","20.4115","0.0016","90","","90","","90","","2078.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0419","0.0414","","","0.1156","0.1164","","","","","","1.044","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242359","5.6104","0.0002","9.8196","0.0004","43.1042","0.0017","90","","90","","90","","2374.69","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0461","0.0452","","","0.1146","0.1152","","","","","","1.111","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242361","10.3684","0.0005","11.7212","0.0006","13.6653","0.0007","96.048","0.004","93.197","0.005","97.803","0.005","1632.07","0.14","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Li N5 O2 -","- C17 H12 Li N5 O2 -","- C68 H48 Li4 N20 O8 -","4","2","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.113","0.056","","","0.1441","0.1859","","","","","","0.851","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242362","22.0886","0.0019","8.7859","0.0004","20.308","0.001","90","","127.702","0.005","90","","3118.2","0.4","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 N5 Rb -","- C17 H8 N5 Rb -","- C136 H64 N40 Rb8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0574","0.0313","","","0.0679","0.0746","","","","","","0.832","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242363","20.608","0.0005","7.2325","0.0002","23.9944","0.0005","90","","90","","90","","3576.3","0.15","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H22 K2 N12 -","- C38 H22 K2 N12 -","- C152 H88 K8 N48 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.1611","0.0736","","","0.1604","0.198","","","","","","0.807","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242364","18.6417","0.0005","6.1755","0.0002","30.2781","0.0011","90","","116.722","0.002","90","","3113.4","0.18","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N5 Na O -","- C17 H10 N5 Na O -","- C136 H80 N40 Na8 O8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0664","0.0435","","","0.1186","0.1338","","","","","","0.929","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242365","12.1276","0.0004","7.2781","0.0002","20.5686","0.0008","90","","100.77","0.003","90","","1783.53","0.1","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cs N5 O -","- C18 H12 Cs N5 O -","- C72 H48 Cs4 N20 O4 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0584","0.0516","","","0.1311","0.1356","","","","","","0.968","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242366","20.3657","0.0015","33.018","0.003","10.0713","0.0008","90","","90","","90","","6772.3","1","423","2","423","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0805","0.044","","","0.1112","0.1261","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242367","20.1201","0.0018","32.676","0.003","10.0411","0.0008","90","","90","","90","","6601.5","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0501","0.0379","","","0.0989","0.1046","","","","","","1.004","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242368","20.087","0.003","32.633","0.005","10.0097","0.0018","90","","90","","90","","6561.3","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 D2 O6 P2 S -","- C36 H30 D2 O6 P2 S -","- C288 H240 D16 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.2133","0.0785","","","0.1566","0.2011","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242370","4.7441","0.0004","9.5883","0.0009","12.077","0.0011","73.421","0.005","89.483","0.005","86.045","0.006","525.23","0.08","296","2","296","2","","","","","","","","7","P 1","P 1","1","","Ethyl 2-[5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 1,3-thiazole-4-carboxylate","","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","1","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0499","0.0346","","","0.0713","0.0766","","","","","","1.032","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242371","23.994","0.004","5.058","0.0009","20.359","0.003","90","","90","","90","","2470.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy -3-methoxyphenyl)methylidene]-1,3-thiazole-4-carbohydrazide","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.1335","0.0465","","","0.0628","0.0779","","","","","","0.915","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242372","7.3329","0.0004","11.3359","0.0007","13.3196","0.0007","105.658","0.003","92.689","0.002","97.255","0.003","1053.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-{2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one","","- C22 H20 Br N3 O2 S -","- C22 H20 Br N3 O2 S -","- C44 H40 Br2 N6 O4 S2 -","2","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0809","0.0396","","","0.084","0.0982","","","","","","1.019","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242373","6.3282","0.0008","9.8266","0.0012","39.383","0.005","90","","90","","90","","2449","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru","Actuation performance of a photo-bending crystal modeled by machine learning-based regression","CrystEngComm","2021","23","34","5839","5847","10.1039/D1CE00208B","","","0.71075","MoKα","","0.1083","0.0589","","","0.131","0.1545","","","","","","1","","","","has coordinates,has disorder","295951","2024-11-15","23:13:16",""
"7242374","15.458","0.002","14.634","0.003","23.965","0.004","90","","90","","90","","5421.2","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H48 N16 O8 Zn4 -","- C50 H48 N16 O8 Zn4 -","- C200 H192 N64 O32 Zn16 -","4","0.5","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.1335","0.0803","","","0.2361","0.2794","","","","","","1.108","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242375","8.7813","0.0011","15.1028","0.0018","11.4147","0.0014","90","","99.628","0.004","90","","1492.5","0.3","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H28 N8 O4 Zn2 -","- C27 H28 N8 O4 Zn2 -","- C54 H56 N16 O8 Zn4 -","2","1","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.0725","0.0553","","","0.1337","0.147","","","","","","1.06","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242376","19.4312","0.0008","21.9435","0.0008","14.1557","0.0007","90","","92.787","0.007","90","","6028.7","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0704","0.0548","","","0.1568","0.1665","","","","","","1.071","","","","has coordinates","264895","2021-05-05","08:29:17",""
"7242377","19.2114","0.0007","21.9406","0.0009","13.9778","0.0005","90","","92.151","0.003","90","","5887.6","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0534","0.0441","","","0.1199","0.1264","","","","","","1.07","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242378","19.2154","0.0004","21.7934","0.0004","13.8564","0.0004","90","","92.334","0.007","90","","5797.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0463","0.0399","","","0.0932","0.0961","","","","","","1.067","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242379","19.3817","0.0006","21.9198","0.0007","14.0784","0.0005","90","","92.693","0.003","90","","5974.5","0.3","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0529","0.0428","","","0.1182","0.1254","","","","","","1.066","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242380","19.12","0.005","28.411","0.005","15.383","0.004","90","","100.982","0.018","90","","8203","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Dy3 N9 O20 -","- C52 H25 Dy3 N9 O20 -","- C208 H100 Dy12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1184","0.0985","","","0.2263","0.2391","","","","","","1.283","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242381","19.173","0.003","28.476","0.003","15.403","0.002","90","","100.962","0.011","90","","8256.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 N9 O20 Tb3 -","- C52 H25 N9 O20 Tb3 -","- C208 H100 N36 O80 Tb12 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1208","0.0966","","","0.2632","0.286","","","","","","1.047","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242382","19.217","0.0013","28.514","0.002","15.3668","0.0011","90","","100.677","0.004","90","","8274.5","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Gd3 N9 O20 -","- C52 H25 Gd3 N9 O20 -","- C208 H100 Gd12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.0736","0.0532","","","0.1356","0.1438","","","","","","1.044","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242383","19.0512","0.0016","28.4046","0.0016","15.4074","0.001","90","","101.195","0.005","90","","8178.9","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Ho3 N9 O20 -","- C52 H25 Ho3 N9 O20 -","- C208 H100 Ho12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1099","0.0823","","","0.2078","0.2267","","","","","","1.039","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242396","3.9124","0.0003","15.4255","0.0012","11.8549","0.0009","90","","93.293","0.003","90","","714.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0714","0.0461","","","0.1137","0.1241","","","","","","1.052","","","","has coordinates","265979","2021-06-05","18:16:41",""
"7242397","11.0127","0.0013","4.6953","0.0007","23.988","0.003","90","","93.872","0.004","90","","1237.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N7 O4 -","- C8 H6 Cl N7 O4 -","- C32 H24 Cl4 N28 O16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.1559","0.0657","","","0.1433","0.1769","","","","","","1.012","","","","has coordinates,has disorder","265979","2021-06-05","18:16:53",""
"7242398","4.5803","0.0003","27.1194","0.0017","10.7559","0.0007","90","","99.38","0.002","90","","1318.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8.25 N6 O7.12 -","- C8 H8 N6 O7.125 -","- C32 H32 N24 O28.5 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0783","0.0565","","","0.1552","0.17","","","","","","1.08","","","","has coordinates","265979","2021-06-05","18:16:58",""
"7242399","3.538","0.002","12.804","0.006","13.613","0.007","64.235","0.012","83.9","0.016","82.879","0.016","550.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O13 -","- C12 H6 N14 O13 -","- C12 H6 N14 O13 -","1","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","","","0.1986","0.1553","","","0.3126","0.3309","","","","","","1.136","","","","has coordinates,has disorder","265979","2021-06-05","18:17:01",""
"7242400","10.1005","0.0002","14.618","0.0004","19.371","0.0005","90","","96.553","0.001","90","","2841.42","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 N12 O12 S2 Zn2 -","- C44 H36 N12 O12 S2 Zn2 -","- C88 H72 N24 O24 S4 Zn4 -","2","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0533","0.0414","","","0.1152","0.1196","","","","","","1.111","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242401","9.811","0.002","10.155","0.002","11.055","0.002","81.48","0.03","65.66","0.03","61.82","0.03","883.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N6 Ni O5 -","- C20 H15 N6 Ni O5 -","- C40 H30 N12 Ni2 O10 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0232","0.0222","","","0.0557","0.0563","","","","","","1.034","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242402","8.8834","0.0018","20.288","0.004","13.751","0.003","90","","94.56","0.03","90","","2470.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O7 S2 Zn -","- C25 H20 N6 O7 S2 Zn -","- C100 H80 N24 O28 S8 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0375","0.0295","","","0.0747","0.0799","","","","","","1.042","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242403","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H122 N30 O54 S4.984 Zn5 -","- C936 H976 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0732","0.0566","","","0.1548","0.1692","","","","","","1.043","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242404","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H112 N30 O54 S4.984 Zn5 -","- C936 H896 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0725","0.0559","","","0.1533","0.168","","","","","","1.021","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242409","22.1444","0.0018","14.5741","0.0011","28.23","0.002","90","","102.549","0.002","90","","8893.1","1.2","175","2","175","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Ce Cu2 N8 O62 P W11 -","- C40 H32 Ce Cu2 N8 O51 P W11 -","- C160 H128 Ce4 Cu8 N32 O204 P4 W44 -","4","1","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0678","0.0469","","","0.1096","0.1205","","","","","","1.098","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242410","36.912","0.004","19.18","0.002","22.158","0.003","90","","90","","90","","15687","3","175","2","175","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C60 H120 Cu2 N12 Nd2 O112 P2 W22 -","- C60 H48 Cu2 N12 Nd2 O92 P2 W22 -","- C240 H192 Cu8 N48 Nd8 O368 P8 W88 -","4","0.5","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0593","0.04","","","0.094","0.1027","","","","","","1.034","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242411","26.331","0.003","7.176","0.0007","13.4905","0.0014","90","","119.392","0.006","90","","2220.9","0.4","151","","151","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.36 H1.64 N0.36 O0.55 -","- C2.36364 H1.63636 N0.363636 O0.545455 -","- C104 H72 N16 O24 -","44","5.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.0367","0.0324","","","0.0817","0.0862","","","","","","1.051","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242412","4.574","0.0005","10.4956","0.0012","22.772","0.002","90","","93.33","0.004","90","","1091.4","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O6 -","- C26 H18 N4 O6 -","- C52 H36 N8 O12 -","2","0.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.1312","0.1045","","","0.2135","0.2241","","","","","","1.23","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242413","10.4889","0.0006","11.1126","0.0007","13.9538","0.0008","99.969","0.002","111.335","0.002","90.59","0.002","1487.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","1","0.5","","Wu, Jing-Yun; Hu, Zhi-Jia; Sung, Hui-Ling","A water-stable molecular cadmium phosphonate bearing 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for the selective detection of bisphenol AF and bisphenol B","CrystEngComm","2021","23","15","2842","2853","10.1039/D0CE01740J","","","0.71073","MoKα","","0.0874","0.051","","","0.1086","0.1338","","","","","","1.084","","","","has coordinates","265981","2021-06-05","18:17:27",""
"7242415","14.353","0.0013","30.106","0.003","26.328","0.002","90","","90","","90","","11376.6","1.8","298","2","298.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H18 Cl3 Cu3 N10 -","- C22 H18 Cl3 Cu3 N10 -","- C352 H288 Cl48 Cu48 N160 -","16","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A novel copper(i) metal‒organic framework as a highly efficient and ultrasensitive electrochemical platform for detection of Hg(ii) ions in aqueous solution","CrystEngComm","2021","23","16","3043","3051","10.1039/D1CE00197C","","","0.71073","MoKα","","0.1469","0.0809","","","0.2076","0.2339","","","","","","0.828","","","","has coordinates,has disorder","265959","2021-06-05","18:11:26",""
"7242428","7.9854","0.0003","9.1752","0.0003","10.0446","0.0004","109.095","0.003","93.499","0.003","114.294","0.003","617.3","0.05","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0238","0.0225","","","0.0535","0.0547","","","","","","1.002","","","","has coordinates,has disorder","265970","2021-06-05","18:13:11",""
"7242429","9.4079","0.0002","10.1883","0.0003","23.8729","0.0006","91.19","0.002","93.989","0.002","111.582","0.002","2120","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0543","0.0478","","","0.1102","0.1162","","","","","","1","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242430","7.61976","0.00012","7.9651","0.00013","10.3658","0.0002","80.7473","0.0015","85.5354","0.0015","87.3833","0.0013","618.702","0.019","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0615","0.0631","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242431","8.1888","0.0001","15.3535","0.0003","18.004","0.0004","111.855","0.002","100.356","0.002","91.24","0.001","2056.93","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C54 H60 Cl4 Fe2 Mn4 N40 O2 S8 -","2","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0605","0.042","","","0.1134","0.1179","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242432","10.20025","0.00011","29.0606","0.0003","17.5583","0.0002","90","","106.475","0.0012","90","","4991.05","0.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C132 H144 Fe8 Mn8 N104 O16 S16 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0335","0.0273","","","0.0674","0.0703","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242433","10.98926","0.00013","15.42554","0.00014","16.6133","0.0002","90","","108.952","0.0013","90","","2663.54","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Fe Mn N13 O2 S2 -","- C18 H21 Fe Mn N13 O2 S2 -","- C72 H84 Fe4 Mn4 N52 O8 S8 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0256","0.0219","","","0.0541","0.0562","","","","","","1.003","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242434","10.9869","0.0003","12.0485","0.0004","13.7559","0.0005","115.833","0.004","91.587","0.003","100.906","0.003","1596.83","0.11","106","","106","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0572","0.0356","","","0.0703","0.0757","","","","","","0.994","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242435","11.0467","0.0003","12.0603","0.0003","13.7505","0.0004","64.635","0.003","79.967","0.002","78.865","0.002","1615.5","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0375","","","0.0851","0.0918","","","","","","1.073","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242436","11.0537","0.0003","12.0557","0.0003","13.7262","0.0004","64.89","0.003","80.331","0.002","78.815","0.002","1617.26","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0724","0.0391","","","0.0818","0.0903","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242437","11.0165","0.0003","12.0569","0.0004","13.7786","0.0004","64.116","0.003","79.239","0.003","78.965","0.002","1605.03","0.09","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0574","0.0337","","","0.0706","0.0762","","","","","","1.032","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242438","10.981","0.0003","12.0448","0.0003","13.7409","0.0004","115.825","0.003","91.535","0.002","100.927","0.002","1593.91","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0508","0.0315","","","0.0677","0.0726","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242439","11.0864","0.0003","12.0734","0.0003","13.7103","0.0004","65.253","0.003","80.773","0.003","78.66","0.002","1627.78","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.0001 N Ni O6 S10 -","- C40 H62 Br2.0002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0713","0.0377","","","0.0875","0.0967","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242440","11.1022","0.0004","12.0838","0.0004","13.7055","0.0005","65.348","0.003","80.897","0.003","78.557","0.003","1632","0.11","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Br N Ni O6 S10 -","- C20 H30 Br N Ni O6 S10 -","- C40 H60 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0828","0.0413","","","0.0922","0.1026","","","","","","1.02","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242441","11.1201","0.0005","12.1021","0.0005","13.7058","0.0007","65.393","0.005","80.958","0.004","78.454","0.004","1637.39","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0881","0.0431","","","0.0958","0.1082","","","","","","1.031","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242442","11.0117","0.0003","12.0652","0.0003","13.7791","0.0004","115.895","0.003","91.351","0.002","101.004","0.002","1604.69","0.09","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0537","0.0325","","","0.0677","0.0728","","","","","","1.026","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242443","11.0374","0.0003","12.0627","0.0003","13.7656","0.0004","64.349","0.003","79.574","0.002","78.92","0.002","1611.41","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0558","0.0333","","","0.069","0.0746","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242444","11.076","0.0003","12.0662","0.0003","13.7164","0.0005","65.106","0.003","80.573","0.003","78.719","0.002","1623.84","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0766","0.0405","","","0.0923","0.1033","","","","","","1.019","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242445","11.2167","0.0004","12.1808","0.0004","13.7373","0.0005","65.696","0.003","81.308","0.003","78.012","0.003","1668.72","0.11","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1032","0.047","","","0.1118","0.1318","","","","","","1.008","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242446","11.211","0.0004","12.1703","0.0004","13.7456","0.0005","65.635","0.003","81.252","0.003","78.145","0.003","1667.21","0.11","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1044","0.0522","","","0.1284","0.151","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242447","11.2193","0.0003","12.3191","0.0002","12.7473","0.0003","92.239","0.002","111.956","0.002","96.066","0.002","1618.98","0.07","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0501","0.0446","","","0.1268","0.1323","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242448","11.2216","0.0003","12.3162","0.0003","12.7541","0.0003","92.155","0.002","111.864","0.002","96.1","0.002","1620.96","0.07","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0476","0.0419","","","0.1168","0.1216","","","","","","1.056","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242449","11.2637","0.0002","12.342","0.0001","12.8337","0.0002","91.372","0.001","110.996","0.001","96.45","0.001","1651.13","0.04","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0327","0.031","","","0.0815","0.0831","","","","","","1.034","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242450","11.2714","0.0001","12.3406","0.0001","12.8452","0.0001","91.241","0.001","110.823","0.001","96.452","0.001","1655.78","0.03","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0337","0.0319","","","0.084","0.0854","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242451","11.2107","0.0003","12.315","0.0002","12.7451","0.0003","92.2792","0.0018","112.126","0.002","96.0601","0.0018","1614.84","0.07","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0608","0.0495","","","0.1395","0.1478","","","","","","1.098","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242452","11.3244","0.0005","12.3495","0.0004","12.9385","0.0006","90.918","0.003","110.128","0.004","96.018","0.003","1686.95","0.13","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0976","0.0559","","","0.1553","0.191","","","","","","0.916","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242453","11.1865","0.0005","12.1459","0.0005","13.7395","0.0006","65.63","0.004","81.204","0.004","78.269","0.004","1659.95","0.14","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0879","0.045","","","0.1086","0.1248","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242454","11.3149","0.0003","12.3589","0.0003","12.909","0.0003","90.9686","0.0019","110.34","0.002","96.269","0.002","1679.59","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.115","0.1287","","","","","","0.996","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242455","11.2452","0.0002","12.3442","0.0002","12.8113","0.0002","91.832","0.001","111.431","0.001","96.243","0.001","1640.65","0.05","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0367","0.0354","","","0.0998","0.1011","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242456","11.3571","0.0002","12.3603","0.0002","12.9511","0.0003","90.864","0.002","109.988","0.002","95.958","0.002","1696.81","0.06","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0398","","","0.1234","0.1397","","","","","","0.975","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242457","11.2803","0.0003","12.3375","0.0002","12.8611","0.0003","91.103","0.002","110.634","0.002","96.375","0.002","1661.43","0.07","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.1292","0.1449","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242458","11.2185","0.0003","12.3084","0.0003","12.7536","0.0003","92.083","0.002","111.733","0.002","96.128","0.002","1621.02","0.07","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0546","0.0438","","","0.1218","0.1293","","","","","","1.068","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242459","11.3046","0.0005","12.3319","0.0004","12.9008","0.0006","90.991","0.003","110.208","0.004","96.173","0.003","1675.11","0.13","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0751","0.0516","","","0.142","0.1641","","","","","","0.986","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242460","11.1694","0.0004","12.1413","0.0004","13.7408","0.0006","65.543","0.004","81.123","0.003","78.362","0.003","1656.09","0.12","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0783","0.0416","","","0.0958","0.1076","","","","","","1.049","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242461","11.2784","0.0001","12.346","0.0001","12.8619","0.0001","91.145","0.001","110.678","0.001","96.422","0.001","1661.63","0.03","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.029","0.0271","","","0.0763","0.0776","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242462","11.2892","0.0003","12.3438","0.0003","12.8805","0.0003","91.047","0.002","110.467","0.002","96.326","0.002","1668.26","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0528","0.0366","","","0.1064","0.1176","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242463","11.25474","0.00018","12.34881","0.00018","12.82304","0.00017","91.7415","0.0011","111.291","0.0014","96.3016","0.0012","1645.75","0.05","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0445","0.0347","","","0.091","0.0965","","","","","","1.084","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242464","11.1765","0.0004","12.2812","0.0003","12.6527","0.0004","87.364","0.002","68.465","0.003","80.094","0.002","1591.12","0.09","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0427","0.0357","","","0.0936","0.0981","","","","","","1.05","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242465","10.4363","0.0003","12.637","0.0004","12.9511","0.0004","70.974","0.003","79.852","0.002","80.316","0.002","1578.17","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0466","0.0336","","","0.0838","0.0897","","","","","","1.05","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242466","10.4067","0.0003","12.6314","0.0005","12.9479","0.0004","70.517","0.003","79.892","0.002","80.138","0.003","1567.96","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19.98 H31 F0.98 N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0461","0.0348","","","0.086","0.0915","","","","","","1.067","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242467","10.4883","0.0002","12.6467","0.0003","12.9675","0.0003","71.543","0.002","79.792","0.002","80.656","0.002","1595.3","0.06","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0357","","","0.1154","0.1327","","","","","","0.87","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242468","10.3645","0.0003","12.6254","0.0005","12.9123","0.0004","69.835","0.003","79.972","0.003","79.948","0.003","1549.82","0.1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0419","0.0329","","","0.1016","0.1117","","","","","","0.782","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242469","10.3864","0.0002","12.6343","0.0005","12.9338","0.0005","69.944","0.003","79.973","0.003","79.97","0.003","1557.9","0.1","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0807","0.0857","","","","","","1.055","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242470","10.5115","0.0003","12.6531","0.0004","12.9821","0.0003","71.701","0.002","79.787","0.002","80.782","0.002","1603.24","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0525","0.0336","","","0.0801","0.0867","","","","","","1.055","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242471","10.3994","0.0003","12.6286","0.0005","12.9431","0.0004","70.317","0.003","79.956","0.002","80.078","0.003","1564.1","0.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0425","0.0333","","","0.0832","0.0879","","","","","","1.072","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242472","10.3884","0.0003","12.6271","0.0004","12.9344","0.0004","70.113","0.003","79.966","0.002","80.068","0.002","1559.3","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0902","0.0961","","","","","","1.011","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242473","10.4754","0.0003","12.6503","0.0004","12.9637","0.0004","71.385","0.003","79.802","0.002","80.55","0.002","1591.61","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0509","0.0343","","","0.081","0.0872","","","","","","1.047","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242474","10.4204","0.0003","12.6319","0.0004","12.9511","0.0004","70.735","0.003","79.898","0.002","80.25","0.002","1572.9","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.057","0.0414","","","0.1011","0.1094","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242475","10.452","0.0003","12.6374","0.0004","12.9527","0.0004","71.178","0.003","79.806","0.002","80.408","0.002","1582.77","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0485","0.0335","","","0.0804","0.0864","","","","","","1.044","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242476","11.2486","0.0006","12.354","0.0008","12.7375","0.0008","87.498","0.005","69.343","0.006","80.758","0.005","1634.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","","0.71073","MoKα","","0.0535","0.0365","","","0.0945","0.102","","","","","","1.051","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242477","10.5742","0.0007","12.6426","0.0007","13.0305","0.0011","72.446","0.006","79.808","0.006","81.42","0.005","1626.1","0.2","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0887","0.0514","","","0.1505","0.177","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242478","10.5377","0.0003","12.6697","0.0003","13.0079","0.0004","71.903","0.002","79.822","0.002","80.956","0.002","1615.05","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0532","0.0354","","","0.0855","0.0938","","","","","","1.042","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242479","10.5475","0.0003","12.6632","0.0003","13.0124","0.0004","72.091","0.003","79.842","0.003","81.154","0.002","1618.65","0.08","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0578","0.0383","","","0.0986","0.1077","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242480","10.5673","0.0004","12.6724","0.0004","13.0358","0.0006","72.219","0.004","79.801","0.004","81.293","0.003","1627.17","0.12","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.071","0.0459","","","0.1373","0.1559","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242481","6.8191","0.0003","6.8191","0.0003","12.7035","0.0011","90","","90","","120","","511.57","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","1","0.166667","","Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi","Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization","CrystEngComm","2021","23","16","2945","2951","10.1039/D1CE00226K","","","0.71073","MoKα","","0.017","0.0157","","","0.0385","0.0389","","","","","","1.061","","","","has coordinates","265960","2021-06-05","18:11:32",""
"7242491","21.893","0.008","9.298","0.004","11.082","0.004","90.07","0.005","92.648","0.005","92.006","0.006","2252.1","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.0861","0.0542","","","0.1157","0.1278","","","","","","1.033","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242492","21.229","0.003","9.6695","0.0009","11.1075","0.001","90","","91.327","0.004","90","","2279.5","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","1","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.054","0.0432","","","0.1075","0.1159","","","","","","1.027","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242493","21.833","0.019","9.359","0.007","11.086","0.009","90.328","0.017","92.39","0.02","91.79","0.02","2262","3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.1762","0.1363","","","0.3543","0.3834","","","","","","0.965","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242494","9.2129","0.0009","9.9156","0.001","17.7795","0.0018","80.589","0.003","77.092","0.003","64.355","0.003","1423.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N11 O5 S2 Zn2 -","- C18 H31 N11 O5 S2 Zn2 -","- C36 H62 N22 O10 S4 Zn4 -","2","1","","Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik","On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand","CrystEngComm","2021","23","18","3391","3397","10.1039/D0CE01864C","","","0.71073","MoKα","","0.0322","0.028","","","0.0718","0.0751","","","","","","1.05","","","","has coordinates,has disorder","265984","2021-06-05","18:18:31",""
"7242495","12.6045","0.0005","27.3658","0.001","20.1424","0.0007","90","","91.799","0.001","90","","6944.3","0.4","120","2","119.98","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C212 H300 B16 Cu8 F16 Fe4 N64 O30 S12 W4 -","2","0.5","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.0761","0.0547","","","0.1447","0.1599","","","","","","1.117","","","","has coordinates,has disorder","265947","2021-06-05","18:08:32",""
"7242496","22.8904","0.0007","22.8904","0.0007","27.7745","0.0009","90","","90","","120","","12603.3","0.7","150","2","150.02","","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C228 H280 B16 Cu12 Fe6 N72 O52 S16 W4 -","2","0.166667","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.1048","0.0689","","","0.2023","0.2535","","","","","","1.172","","","","has coordinates,has disorder","265947","2021-06-05","18:08:41",""
"7242497","22.3221","0.0006","11.774","0.0003","16.2459","0.0004","90","","90.15","0.001","90","","4269.74","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N4 Na O10 -","- C46 H44 Dy N4 Na O10 -","- C184 H176 Dy4 N16 Na4 O40 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0964","0.0471","","","0.0881","0.1019","","","","","","1.085","","","","has coordinates","265940","2021-06-05","18:07:15",""
"7242498","10.9971","0.0004","29.7015","0.001","14.676","0.0004","90","","111.441","0.001","90","","4461.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N5 Na2 O13 -","- C46 H44 Dy N5 Na2 O13 -","- C184 H176 Dy4 N20 Na8 O52 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0553","0.0349","","","0.0712","0.0765","","","","","","1.024","","","","has coordinates","265940","2021-06-05","18:07:16",""
"7242505","9.533","0.0003","9.6406","0.0003","11.2374","0.0004","73.591","0.003","89.342","0.003","70.111","0.003","927.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mn N2 O8 -","- C18 H18 Mn N2 O8 -","- C36 H36 Mn2 N4 O16 -","2","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0429","0.0422","","","0.1181","0.1188","","","","","","1.052","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242506","20.5062","0.0003","6.4692","0.0001","27.8762","0.0003","90","","95.957","0.001","90","","3678.05","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cd2 Cl2 N4 O9 -","- C36 H23 Cd2 Cl2 N4 O9 -","- C144 H92 Cd8 Cl8 N16 O36 -","4","0.5","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0446","0.0431","","","0.1295","0.1311","","","","","","1.065","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242507","6.3178","0.0002","19.3847","0.0008","27.9152","0.0011","90","","90","","90","","3418.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0889","0.0627","","","0.1516","0.171","","","","","","1.109","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242508","18.542","0.004","14.847","0.003","27.876","0.006","90","","90","","90","","7674","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 N4 Ni2 O12 -","- C36 H28 N4 Ni2 O12 -","- C288 H224 N32 Ni16 O96 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0512","0.0491","","","0.1611","0.1641","","","","","","1.021","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242509","5.7323","0.0003","9.019","0.0005","17.3597","0.001","90","","90","","90","","897.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0304","0.0283","","","0.0707","0.0717","","","","","","1.051","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242510","5.4954","0.0004","8.4298","0.0005","9.3517","0.0006","90","","90","","90","","433.22","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.059","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242511","5.759","0.003","5.772","0.003","12.492","0.007","90","","90","","90","","415.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0614","0.0493","","","0.1184","0.1226","","","","","","1.063","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242515","45.506","0.009","9.888","0.002","8.1578","0.0016","90","","93.89","0.03","90","","3662.3","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 Fe2 Mn N0 O7 -","- C34 H30 Cl2 Fe2 Mn O7 -","- C136 H120 Cl8 Fe8 Mn4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0803","0.0733","","","0.194","0.2014","","","","","","1.287","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242516","42.625","0.008","10.241","0.002","8.9462","0.0018","90","","94.72","0.03","90","","3892","1.3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C184 H128 Cl8 Fe8 Mn4 N8 O16 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.113","0.0532","","","0.081","0.103","","","","","","1.016","","","","has coordinates,has disorder","265945","2021-06-05","18:08:01",""
"7242517","45.368","0.009","9.959","0.002","8.0659","0.0016","90","","94.54","0.03","90","","3632.9","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl2 Fe2 N0 Ni O7 -","- C34 H26 Cl2 Fe2 Ni O7 -","- C136 H104 Cl8 Fe8 Ni4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.094","0.0697","","","0.1776","0.1999","","","","","","0.934","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242518","10.381","0.002","11.074","0.002","13.337","0.003","96.62","0.03","95.19","0.03","92.49","0.03","1514.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0659","0.0472","","","0.0812","0.089","","","","","","1.079","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242519","45.267","0.009","9.929","0.002","8.0513","0.0016","90","","94.33","0.03","90","","3608.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 Co Fe2 N0 O7 -","- C34 H24 Cl2 Co Fe2 O7 -","- C136 H96 Cl8 Co4 Fe8 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0714","0.0664","","","0.1662","0.1727","","","","","","1.003","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242520","10.349","0.002","11.287","0.002","13.426","0.003","96.99","0.03","94.89","0.03","92.12","0.03","1549.2","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.073","0.061","","","0.1628","0.1758","","","","","","0.895","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242521","9.33","0.002","10.12","0.003","12.688","0.003","101.561","0.008","90.354","0.01","98.996","0.008","1158.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0223","0.0202","","","0.0521","0.0533","","","","","","1.064","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242522","9.353","0.006","10.076","0.006","12.911","0.008","97.09","0.02","96.377","0.019","100.882","0.016","1174.4","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0626","0.0649","","","","","","1.121","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242523","9.6073","0.0002","10.1391","0.0003","11.8289","0.0003","98.77","0.002","112.985","0.002","106.117","0.002","973.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cp-1","1","","- C21 H19 N3 O6 Zn -","- C21 H19 N3 O6 Zn -","- C42 H38 N6 O12 Zn2 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0305","0.0301","","","0.0789","0.0792","","","","","","1.068","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242524","9.5717","0.0005","10.0806","0.0004","11.8057","0.0006","99.281","0.004","112.617","0.005","105.83","0.004","965.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N3 O6 -","- C21 H19 Co N3 O6 -","- C42 H38 Co2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0651","0.062","","","0.1693","0.1713","","","","","","1.063","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242525","9.5406","0.0003","10.0775","0.0003","11.9021","0.0004","100.467","0.003","112.109","0.003","104.281","0.003","978.23","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Mn N3 O6 -","- C21 H19 Mn N3 O6 -","- C42 H38 Mn2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0354","0.0345","","","0.0965","0.0971","","","","","","1.156","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242537","5.6819","0.0005","7.7529","0.0007","14.9654","0.0012","93.713","0.003","97.789","0.003","95.423","0.003","648.22","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F O2 -","- C16 H12 F2 O -","- C32 H24 F4 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1175","0.056","","","0.1084","0.1353","","","","","","1.021","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242538","12.4423","0.0004","24.3784","0.0008","8.8538","0.0003","90","","114.025","0.001","90","","2452.91","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Cl2 F0.25 O6 -","- C30 H18 Cl2 F4 O2 -","- C120 H72 Cl8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0326","0.0294","","","0.0702","0.0726","","","","","","1.049","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242539","13.6767","0.0005","8.6874","0.0003","11.331","0.0004","90","","107.084","0.001","90","","1286.89","0.08","116","2","116.06","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H22 F6 O2 -","- C32 H22 F6 O2 -","- C64 H44 F12 O4 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0559","0.0542","","","0.1156","0.1162","","","","","","1.271","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242540","13.9052","0.0011","3.7985","0.0003","23.3553","0.0018","90","","105.147","0.005","90","","1190.74","0.16","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1904","0.1028","","","0.1856","0.2145","","","","","","1.211","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242541","9.0972","0.0009","11.7453","0.0013","13.5987","0.0015","115.013","0.004","92.409","0.004","91.562","0.004","1313.9","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O4 -","- C32 H24 F4 O4 -","- C64 H48 F8 O8 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0832","0.0466","","","0.0996","0.1199","","","","","","1.013","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242542","4.0121","0.0003","23.1292","0.0019","13.5026","0.0013","90","","96.284","0.003","90","","1245.47","0.18","298","2","297.89","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1323","0.0773","","","0.1985","0.2314","","","","","","1.12","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242543","5.9906","0.0011","26.824","0.006","8.121","0.0018","90","","100.511","0.005","90","","1283.1","0.5","144","2","144.53","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O2 -","- C32 H24 F4 O2 -","- C64 H48 F8 O4 -","2","0.5","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1433","0.0848","","","0.2171","0.27","","","","","","1.002","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242544","10.5214","0.0004","3.9362","0.0001","30.9616","0.0012","90","","91.344","0.002","90","","1281.9","0.08","298","2","297.89","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 -","- C16 H12 F2 O2 -","- C64 H48 F8 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0705","0.0476","","","0.1127","0.1277","","","","","","1.04","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242545","5.5139","0.0004","7.8716","0.0007","15.1925","0.0012","94.221","0.004","95.914","0.003","93.999","0.004","652.12","0.09","196","2","196.4","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C32 H22 F6 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0835","0.0456","","","0.1124","0.1361","","","","","","1.039","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242546","25.053","0.003","5.7339","0.0008","8.0226","0.001","90","","95.745","0.005","90","","1146.7","0.3","100","2","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0632","0.0425","","","0.0787","0.0856","","","","","","1.051","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242547","25.2955","0.0018","11.9432","0.0009","34.778","0.002","90","","90","","90","","10506.8","1.2","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Br2 F2 O2 -","- C30 H20 Br2 F2 O2 -","- C480 H320 Br32 F32 O32 -","16","2","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0523","0.0336","","","0.068","0.0741","","","","","","1.016","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242548","5.8739","0.0007","7.4217","0.0009","14.0384","0.0018","90.767","0.005","97.082","0.004","92.597","0.004","606.59","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.033","0.0317","","","0.0876","0.0886","","","","","","1.06","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242549","12.606","0.005","24.432","0.01","9.056","0.003","90","","114.764","0.011","90","","2532.7","1.7","100","2","99.98","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Br2 F4 O2 -","- C30 H18 Br2 F4 O2 -","- C120 H72 Br8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1053","0.0456","","","0.0777","0.0908","","","","","","0.952","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242552","4.0612","0.0005","25.692","0.004","8.6053","0.0011","90","","93.36","0.004","90","","896.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 N4 O4 -","- C24 H12 N4 O4 -","- C48 H24 N8 O8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.0872","0.0483","","","0.1084","0.1243","","","","","","1.027","","","","has coordinates","265983","2021-06-05","18:18:22",""
"7242553","13.339","0.005","5.493","0.002","25.88","0.008","90","","116.314","0.017","90","","1699.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C64 H72 N8 O16 S8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2195","0.0712","","","0.1352","0.1765","","","","","","0.992","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242554","5.4179","0.0005","20.3687","0.0017","12.2934","0.001","90","","100.926","0.003","90","","1332.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2102","0.108","","","0.2597","0.3167","","","","","","1.037","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242555","5.3112","0.0014","23.855","0.007","11.619","0.003","90","","99.885","0.008","90","","1450.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 O6 -","- C34 H30 N6 O6 -","- C68 H60 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.1801","0.0691","","","0.1169","0.1478","","","","","","1.007","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242556","10.1841","0.0003","9.5035","0.0004","21.6676","0.0011","90","","91.787","0.004","90","","2096.07","0.15","288.63","0.1","288.63","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Cd N2 O5.5 -","- C22 H16 Cd N2 O5.5 -","- C88 H64 Cd4 N8 O22 -","4","1","","Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming","Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission","CrystEngComm","2021","23","17","3094","3098","10.1039/D1CE00303H","","x-ray","0.71073","MoKα","","0.076","0.0601","","","0.1801","0.1916","","","","","","1.063","","","","has coordinates,has disorder","265944","2021-06-05","18:07:49",""
"7242557","8.2434","0.0004","13.7798","0.0007","16.7261","0.0008","90","","96.059","0.003","90","","1889.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cl2 N14 Ni2 O8 -","- C28 H48 Cl2 N14 Ni2 O8 -","- C56 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0789","0.0452","","","0.0912","0.1054","","","","","","1.015","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242558","8.179","0.0006","27.2301","0.0018","9.5177","0.0007","90","","100.369","0.003","90","","2085.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N14 Ni2 O8 -","- C32 H48 Cl2 N14 Ni2 O8 -","- C64 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.058","0.0368","","","0.0746","0.0824","","","","","","1.059","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242559","8.3729","0.0009","13.604","0.0014","16.8216","0.0019","90","","94.39","0.004","90","","1910.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N10 Ni2 O10 -","- C30 H48 Cl2 N10 Ni2 O10 -","- C60 H96 Cl4 N20 Ni4 O20 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.093","0.0501","","","0.1035","0.1184","","","","","","1.026","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242560","26.3729","0.0018","43.882","0.004","20.6839","0.0016","90","","90","","90","","23937","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H52 Cl2 N14 Ni2 O8 -","- C30 H52 Cl2 N14 Ni2 O8 -","- C720 H1248 Cl48 N336 Ni48 O192 -","24","1.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.1392","0.0974","","","0.2417","0.2737","","","","","","1.027","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242561","15.0146","0.0011","15.3326","0.001","18.7906","0.0014","106.124","0.002","106.924","0.002","91.258","0.002","3950.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H115 N25 Ni4 O8 -","- C70 H115 N25 Ni4 O8 -","- C140 H230 N50 Ni8 O16 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.05","0.0323","","","0.0733","0.0811","","","","","","1.026","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242562","15.0212","0.0011","15.3518","0.0012","18.7416","0.0014","106.273","0.003","106.932","0.003","91.228","0.003","3943.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H115 N17 Ni4 O12 -","- C74 H115 N17 Ni4 O12 -","- C148 H230 N34 Ni8 O24 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0464","0.0323","","","0.0695","0.0756","","","","","","1.019","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242563","15.6255","0.001","6.0517","0.0004","47.672","0.004","90","","90","","90","","4507.9","0.6","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","TBOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C232 H192 N32 -","8","2","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","","1.54178","CuKα","","0.0754","0.0637","","","0.173","0.192","","","","","","1.022","","","","has coordinates","264894","2021-05-05","08:28:35",""
"7242564","19.462","0.002","5.2101","0.0004","26.144","0.003","90","","105.318","0.011","90","","2556.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TBMP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","0.5","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0835","0.0625","","","0.1699","0.1843","","","","","","1.036","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242565","9.4388","0.0006","9.4605","0.0005","12.5876","0.0008","94.094","0.005","103.85","0.005","105.273","0.005","1041.89","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","PHZMP","2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C56 H48 N8 -","2","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0828","0.0625","","","0.1599","0.1832","","","","","","1.033","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242566","4.8535","0.0006","37.442","0.005","11.8808","0.001","90","","101.043","0.01","90","","2119.1","0.4","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","PHZOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","1.54184","CuKα","","0.0812","0.0719","","","0.1877","0.204","","","","","","1.021","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242567","10.159","0.0008","11.0042","0.0006","11.2516","0.001","74.652","0.006","66.351","0.008","79.654","0.005","1107.27","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C52 H28 Cd4 N4 O16 -","2","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.0545","0.0456","","","0.1148","0.1201","","","","","","1.07","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242568","7.6065","0.0001","13.9939","0.0003","20.8616","0.0004","90","","91.09","0.002","90","","2220.2","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 -","- C16 H14 Cd2 O12 -","- C64 H56 Cd8 O48 -","4","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.037","0.0307","","","0.0787","0.0811","","","","","","1.068","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242569","21.2513","0.0007","15.2436","0.0005","24.1678","0.0008","90","","106.388","0.001","90","","7511","0.4","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N8 O48 W12 Zn2 -","- C40 H52 N8 O48 W12 Zn2 -","- C160 H208 N32 O192 W48 Zn8 -","4","0.5","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.0299","0.0293","","","0.0695","0.0698","","","","","","1.267","","","","has coordinates,has disorder","268666","2021-09-06","10:27:56",""
"7242570","14.296","0.006","15.241","0.006","16.158","0.007","90","","99.738","0.014","90","","3470","3","273.15","","273.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C36 H25 Cu N12 O42 W12 Zn -","- C36 H32 Cu N12 O42 W12 Zn -","- C72 H64 Cu2 N24 O84 W24 Zn2 -","2","1","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.041","0.0366","","","0.0815","0.0844","","","","","","1.038","","","","has coordinates","268666","2021-09-06","10:27:56",""
"7242574","17.1647","0.0006","17.1647","0.0006","23.1194","0.0011","90","","90","","90","","6811.6","0.5","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C312 H240 N96 O24 -","24","6","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0692","0.0545","","","0.1257","0.1386","","","","","","1.048","","","","has coordinates","265942","2021-06-05","18:07:34",""
"7242575","3.8425","0.0001","21.4042","0.0008","15.2608","0.0006","90","","96.8753","0.0012","90","","1246.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0457","0.0387","","","0.1024","0.1082","","","","","","1.06","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242576","22.1904","0.0017","4.7324","0.0004","27.12","0.002","90","","109.172","0.005","90","","2690","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0506","0.0381","","","0.0891","0.0971","","","","","","1.071","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242577","11.5655","0.001","3.9863","0.0004","28.977","0.003","90","","100.713","0.002","90","","1312.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0757","0.0477","","","0.1119","0.1285","","","","","","1.029","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242578","3.8994","0.0002","21.1784","0.0011","8.9913","0.0005","90","","102.301","0.0017","90","","725.48","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C30 H26 N10 O10 -","2","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0437","0.041","","","0.0888","0.0913","","","","","","1.073","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242579","7.4264","0.0004","26.8268","0.0016","5.6645","0.0003","90","","90","","90","","1128.52","0.11","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H9 F N4 O -","- C13 H9 F N4 O -","- C52 H36 F4 N16 O4 -","4","0.5","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","1.54178","CuKα","","0.0351","0.0325","","","0.0771","0.0799","","","","","","1.109","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242580","28.9051","0.0018","3.9102","0.0002","11.6155","0.0007","90","","108.226","0.003","90","","1246.97","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.71073","MoKα","","0.0301","0.0286","","","0.0739","0.0755","","","","","","1.054","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242581","8.5565","0.0011","10.5456","0.0016","17.147","0.002","96.105","0.004","99.219","0.004","94.937","0.004","1510.2","0.3","170","2","170.02","","","","","","","","","5","P 1","P 1","1","remdesivir","","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","2","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","x-ray","1.34139","GaKα","","0.2598","0.1215","","","0.2953","0.3938","","","","","","0.996","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242582","10.5286","0.0017","12.809","0.002","11.1106","0.0019","90","","100.022","0.005","90","","1475.5","0.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","Remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","","0.71073","MoKα","","0.0622","0.0576","","","0.1508","0.1554","","","","","","1.074","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242583","7.7605","0.0002","7.3336","0.0001","8.9393","0.0002","90","","115.115","0.003","90","","460.66","0.02","293","2","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(1.5H2O)","","- Ca H3 Ni2 O10.5 Se3 -","- Ca H3 Ni2 O10.5 Se3 -","- Ca2 H6 Ni4 O21 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0645","0.0652","","","","","","1.098","","","","has coordinates,has disorder","265938","2021-06-05","18:06:52",""
"7242584","7.8568","0.0004","7.3734","0.0003","8.9697","0.0006","90","","114.275","0.007","90","","473.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(2H2O)","","- Ca H4 Ni2 O11 Se3 -","- Ca H3.999 Ni2 O10.999 Se3 -","- Ca2 H7.998 Ni4 O21.998 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0531","0.0358","","","0.0652","0.0701","","","","","","1.033","","","","has coordinates,has disorder","265938","2021-06-05","18:06:53",""
"7242585","7.3759","0.0003","10.9715","0.0005","10.2189","0.0003","90","","90","","90","","826.96","0.06","297","2","297","","","","","","","","","4","C m c m","-C 2c 2","63","","CaNi2(SeO3)3","","- Ca Ni2 O9 Se3 -","- Ca Ni2 O9 Se3 -","- Ca4 Ni8 O36 Se12 -","4","0.25","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0687","0.0697","","","","","","1.147","","","","has coordinates","265938","2021-06-05","18:06:53",""
"7242591","14.406","0.003","16.682","0.003","25.02","0.005","90","","90","","90","","6013","2","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34.5 N5.5 O7 S2 -","- C22 H34.5 N5.5 O7 S2 -","- C176 H276 N44 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0488","0.0465","","","0.1222","0.1241","","","","","","1.018","","","","has coordinates","265957","2021-06-05","18:11:01",""
"7242592","19.556","0.003","19.556","0.003","17.153","0.003","90","","90","","90","","6559.9","1.8","113","2","113.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C22 H36 N4 O7 S2 -","- C22 H36 N4 O7 S2 -","- C176 H288 N32 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0977","0.079","","","0.2008","0.2148","","","","","","1.066","","","","has coordinates","265957","2021-06-05","18:11:02",""
"7242593","14.1543","0.0003","16.755","0.0004","23.7148","0.0006","90","","90","","90","","5624.1","0.2","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H70 N8 O16 S4 -","- C41 H70 N8 O16 S4 -","- C164 H280 N32 O64 S16 -","4","1","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","x-ray","0.71073","MoKα","","0.046","0.042","","","0.1043","0.1066","","","","","","1.039","","","","has coordinates,has disorder","265957","2021-06-05","18:11:02",""
"7242594","6.9349","0.0019","7.1467","0.0015","9.558","0.002","71.817","0.006","84.968","0.008","70.026","0.008","422.89","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.2083","0.1819","","","0.4492","0.4751","","","","","","1.653","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242595","6.9361","0.0007","7.1569","0.0006","9.5654","0.0009","71.825","0.003","84.915","0.003","69.902","0.003","423.58","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.0803","0.0632","","","0.1731","0.1973","","","","","","1.06","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242596","13.979","0.002","12.436","0.002","16.164","0.003","90","","90.613","0.003","90","","2809.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Co3 N6 O20 -","- C52 H52 Co3 N6 O20 -","- C104 H104 Co6 N12 O40 -","2","0.5","","Wu, Yun-Long; Yang, Rong-Rong; Yang, Guo-Ping; Yan, Yang-Tian; Su, Xiao-Lei; He, Xin-Hai; Song, Yan-Yan; Ma, Zheng-Sheng; Wang, Yao-Yu","A new porous Co(ii)-metal‒organic framework for high sorption selectivity and affinity to CO2 and efficient catalytic oxidation of benzyl alcohols to benzaldehydes","CrystEngComm","2021","23","20","3717","3723","10.1039/D1CE00250C","","","0.71073","MoKα","","0.0658","0.0478","","","0.1333","0.1447","","","","","","1.06","","","","has coordinates","265962","2021-06-05","18:11:45",""
"7242597","13.0833","0.0003","7.64625","0.00015","24.185","0.0005","90","","90","","90","","2419.42","0.09","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0478","0.0377","","","0.0943","0.1038","","","","","","1.039","","","","has coordinates","265939","2021-06-05","18:07:04",""
"7242598","11.3261","0.0003","15.5298","0.0004","8.0963","0.0002","90","","105.26","0.003","90","","1373.86","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0398","0.0347","","","0.0887","0.0942","","","","","","1.034","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242599","14.5352","0.0004","11.5897","0.0003","14.2576","0.0006","90","","102.137","0.003","90","","2348.13","0.14","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0753","0.0476","","","0.1139","0.1347","","","","","","1.003","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242600","5.55659","0.00018","10.0324","0.0003","22.5154","0.0007","90","","92.49","0.003","90","","1253.96","0.07","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0475","0.0366","","","0.0949","0.1031","","","","","","1.026","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242601","7.6398","0.001","12.74","0.002","13.6472","0.0019","90","","99.618","0.013","90","","1309.6","0.3","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0942","0.0638","","","0.1526","0.1739","","","","","","1.087","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242602","25.2543","0.001","5.1328","0.0002","9.8457","0.0004","90","","90","","90","","1276.25","0.09","150","2","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0462","0.0417","","","0.1054","0.1109","","","","","","1.099","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242603","12.8565","0.0004","13.5028","0.0005","20.6644","0.0006","72.641","0.003","75.515","0.002","84.414","0.002","3314.1","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene coordination complex with Sr(II)","","","- C61 H79 O39.5 Sr -","- C61 H66 O39.54 Sr -","- C122 H132 O79.08 Sr2 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0948","0.0805","","","0.1923","0.1987","","","","","","1.071","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242604","22.583","0.0011","23.6561","0.0006","26.736","0.0011","90","","95.186","0.005","90","","14224.6","1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carboxylated pillar[5]arene coordination complex with Sr(II) and phenanthroline","","","- C124 H136 N2 O77.5 Sr4 -","- C123.008 H94.506 N2 O77.499 Sr4 -","- C492.032 H378.024 N8 O309.996 Sr16 -","4","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.5418","CuKα","","0.1949","0.1146","","","0.2891","0.368","","","","","","0.997","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242605","13.9854","0.0006","14.3768","0.0005","23.0984","0.0009","73.904","0.003","72.539","0.004","64.366","0.004","3935.1","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene exclusion complex with phenanthroline","","","- C82.5 H86 N4 O36.3 -","- C82.472 H76.416 N4 O36.308 -","- C164.944 H152.832 N8 O72.616 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0995","0.0906","","","0.2682","0.278","","","","","","1.042","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242606","13.6055","0.0005","21.8372","0.0008","11.304","0.0004","90","","103.757","0.004","90","","3262.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H54 Eu2 N8 O12 -","- C80 H54 Eu2 N8 O12 -","- C160 H108 Eu4 N16 O24 -","2","0.5","","Ruan, Zhong-Yu; Lu, Yong-Fang; Lv, Xi; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Synthesis of a Eu complex based on benzonitrile hydrolysis as the first luminescent probe for clinafloxacin","CrystEngComm","2021","23","19","3602","3608","10.1039/D1CE00315A","","","0.71073","MoKα","","0.0395","0.0314","","","0.0606","0.0642","","","","","","1.077","","","","has coordinates","265955","2021-06-05","18:10:30",""
"7242607","19.048","0.0011","9.6054","0.0004","17.9497","0.0009","90","","116.283","0.003","90","","2944.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0327","0.0285","","","0.0564","0.0576","","","","","","1.066","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242608","18.9531","0.0015","9.568","0.0006","17.8641","0.0013","90","","116.077","0.004","90","","2909.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0235","0.0217","","","0.0477","0.0482","","","","","","1.095","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242609","19.001","0.011","9.557","0.004","17.951","0.009","90","","116.38","0.03","90","","2920","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0751","0.0564","","","0.1025","0.1093","","","","","","1.064","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242610","19.022","0.002","9.5893","0.0008","17.9373","0.0017","90","","116.148","0.005","90","","2937.1","0.5","102","2","102","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0388","0.0338","","","0.0665","0.068","","","","","","1.086","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242611","19.095","0.0013","9.592","0.0006","17.9594","0.0012","90","","116.394","0.004","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0413","0.0382","","","0.0816","0.083","","","","","","1.114","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242612","19.0674","0.0013","9.5986","0.0006","17.9747","0.0013","90","","116.405","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0226","0.022","","","0.0508","0.051","","","","","","1.119","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242626","9.6083","0.001","12.3397","0.0013","13.1345","0.0014","106.969","0.002","108.15","0.002","105.806","0.002","1297.4","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Co Mo4 N6 O15 -","- C16 H16 Co Mo4 N6 O15 -","- C32 H32 Co2 Mo8 N12 O30 -","2","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","x-ray","0.71073","MoKα","K-L~3~","0.1041","0.058","","","0.138","0.1606","","","","","","1.033","","","","has coordinates,has disorder","268663","2021-09-06","10:27:21",""
"7242627","15.892","0.002","16.61","0.002","16.579","0.002","90","","110.912","0.002","90","","4088","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Co Mo4 N6 O18 -","- C21 H20 Co Mo4 N6 O18 -","- C84 H80 Co4 Mo16 N24 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0505","0.0316","","","0.0694","0.0758","","","","","","0.932","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242628","8.3887","0.0016","12.411","0.002","20.052","0.004","90","","94.027","0.004","90","","2082.5","0.7","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co Mo8 N8 O28 -","- C26 H20 Co Mo8 N8 O28 -","- C52 H40 Co2 Mo16 N16 O56 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1187","0.0526","","","0.1226","0.1664","","","","","","0.851","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242629","8.3998","0.0003","12.4831","0.0004","20.0657","0.0007","90","","94.106","0.001","90","","2098.6","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Mo8 N8 O28 Zn -","- C26 H20 Mo8 N8 O28 Zn -","- C52 H40 Mo16 N16 O56 Zn2 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0267","0.0226","","","0.0523","0.0539","","","","","","1.104","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242630","15.958","0.0009","16.5096","0.0009","16.5324","0.001","90","","111.402","0.001","90","","4055.3","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Mo4 N6 Ni O18 -","- C21 H19 Mo4 N6 Ni O18 -","- C84 H76 Mo16 N24 Ni4 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1286","0.0852","","","0.2731","0.3097","","","","","","1.064","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242631","11.473","0.005","13.285","0.005","15.134","0.005","77.821","0.005","71.632","0.005","76.796","0.005","2107.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.1257","0.0871","","","0.2698","0.2941","","","","","","1.096","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242632","14.4073","0.0006","14.6547","0.0006","18.0891","0.0008","98.781","0.001","92.723","0.001","112.217","0.001","3471.1","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.076","","","0.1346","0.1515","","","","","","1.041","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242633","14.386","0.001","14.6213","0.001","18.0964","0.0013","98.825","0.002","92.764","0.002","112.21","0.001","3458.7","0.4","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0552","","","0.0882","0.1115","","","","","","0.973","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242634","11.2593","0.0009","12.2095","0.001","12.6834","0.0011","77.379","0.002","70.498","0.002","88.223","0.002","1602.2","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71073","MoKα","","0.0647","0.0559","","","0.1595","0.165","","","","","","1.089","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242635","13.186","0.005","16.56","0.005","17.567","0.005","86.945","0.005","86.378","0.005","76.76","0.005","3724","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cu2 Mo12 N9 O48 P -","- C48 H42 Cu2 Mo12 N9 O48 P -","- C96 H84 Cu4 Mo24 N18 O96 P2 -","2","1","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.0716","0.0448","","","0.1105","0.1259","","","","","","1.003","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242636","16.2488","0.001","19.1465","0.0012","24.0881","0.0014","67.688","0.001","71.651","0.001","66.913","0.001","6255.3","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C210 H178 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","","0.1161","0.066","","","0.1397","0.1654","","","","","","1.032","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242637","9.6734","0.0007","9.6734","0.0007","31.308","0.004","90","","90","","120","","2537.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C102 H78 Cl12 N6 O12 S6 -","6","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.2147","0.065","","","0.1035","0.1458","","","","","","1.078","","","","has coordinates,has disorder","265991","2021-06-05","18:20:11",""
"7242638","9.0476","0.0008","8.5404","0.0008","11.4193","0.0011","90","","113.152","0.006","90","","811.31","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C34 H26 Cl4 N2 O4 S2 -","2","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.0744","0.0458","","","0.0884","0.1025","","","","","","1.027","","","","has coordinates","265991","2021-06-05","18:20:11",""
"7242649","25.7398","0.0011","23.6271","0.0011","9.7094","0.0005","90","","106.926","0.003","90","","5649","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C96 H96 N64 Zn16 -","8","1","","Meng, Qianqian; Wang, Jiang; Shi, Qi; Dong, Jinxiang","Synthesis of a new ATN-type zeolitic imidazolate framework through cooperative effects of N,N-dipropylformamide and n-butylamine","CrystEngComm","2021","23","19","3429","3433","10.1039/D1CE00287B","","","1.54178","CuKα","","0.0847","0.0693","","","0.1849","0.2025","","","","","","1.005","","","","has coordinates,has disorder","265952","2021-06-05","18:10:03",""
"7242658","25.411","0.012","16.573","0.008","16.573","","90","","90","","90","","6979","5","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16.25 H15.75 N1.25 O6 Zn -","- C13 H6 O5 Zn -","- C104 H48 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1067","0.0727","","","0.1934","0.2033","","","","","","1.035","","","","has coordinates","265987","2021-06-05","18:19:27",""
"7242659","17.693","0.003","33.688","0.007","16.248","0.003","90","","90","","90","","9684","3","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C26 H36 N3.5 O9.5 Zn -","- C16 H8 O5 Zn -","- C128 H64 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1534","0.1094","","","0.2837","0.3234","","","","","","1.018","","","","has coordinates,has disorder","265987","2021-06-05","18:19:29",""
"7242660","9.5836","0.0005","9.5888","0.0005","10.0923","0.0006","67.643","0.006","88.319","0.005","61.421","0.005","739.79","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","1","0.5","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0331","0.029","","","0.057","0.06","","","","","","1.031","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242661","16.702","0.003","13.373","0.003","27.508","0.006","90","","98.96","0.03","90","","6069","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C168 H140 Bi16 Br48 N36 O32 -","8","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0359","0.0295","","","0.0666","0.0688","","","","","","1.037","","","","has coordinates,has disorder","265964","2021-06-05","18:12:06",""
"7242662","16.7831","0.0007","10.2718","0.0005","15.2355","0.0007","90","","94.446","0.004","90","","2618.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Bi Br4 N3 O2 -","- C20 H30 Bi Br4 N3 O2 -","- C80 H120 Bi4 Br16 N12 O8 -","4","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.04","0.0316","","","0.0649","0.0705","","","","","","1.016","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242663","6.8987","0.0004","21.2912","0.0012","8.6833","0.0005","90","","102.19","0.0018","90","","1246.66","0.12","295","2","295.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe5 Mo7 O28 Rb -","- Fe5 Mo7 O28 Rb -","- Fe10 Mo14 O56 Rb2 -","2","0.5","","Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.","The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion","CrystEngComm","2021","23","18","3297","3307","10.1039/D1CE00118C","","","0.71073","MoKα","","0.0199","0.0166","","","0.0336","0.0345","","","","","","1.086","","","","has coordinates","265986","2021-06-05","18:19:09",""
"7242665","10.2977","0.0007","17.1374","0.0012","25.7887","0.0018","85.798","0.006","85.562","0.006","77.91","0.006","4429.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N6 O3 -","- C9 H10 N6 O3 -","- C144 H160 N96 O48 -","16","8","","Caimac, Nicoleta; Melnic, Elena; Chisca, Diana; Fonari, Marina S.","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions","CrystEngComm","2021","23","17","3099","3108","10.1039/D1CE00313E","","","0.71073","MoKα","","0.2402","0.0699","","","0.0764","0.1094","","","","","","0.871","","","","has coordinates","265941","2021-06-05","18:07:23",""
"7242668","12.3714","0.0012","18.5178","0.0017","5.6651","0.0005","90","","90","","90","","1297.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0928","0.0641","","","0.1804","0.2067","","","","","","1.093","","","","has coordinates","265997","2021-06-05","18:21:38",""
"7242669","11.626","0.007","30.46","0.02","8.952","0.004","90","","90","","90","","3170","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 N6 O8 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0556","0.0383","","","0.1159","0.1243","","","","","","1.045","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242670","11.4051","0.0014","8.0096","0.001","19.454","0.002","90","","106.613","0.003","90","","1702.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Co N6 O8 -","- C34 H34 Co N6 O8 -","- C68 H68 Co2 N12 O16 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0403","0.031","","","0.0805","0.0858","","","","","","1.078","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242671","30.4091","0.0014","11.6865","0.0005","8.9577","0.0003","90","","90","","90","","3183.4","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 Co N6 O8 -","- C30 H32 Co N6 O8 -","- C120 H128 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.057","0.0444","","","0.137","0.1477","","","","","","1","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242672","11.7","0.004","30.466","0.01","8.959","0.003","90","","90","","90","","3193.5","1.9","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0511","0.042","","","0.0873","0.0909","","","","","","1.083","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242673","11.653","0.007","30.448","0.014","8.96","0.005","90","","90","","90","","3179","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 Co N6 O8 -","- C30 H34 Co N6 O8 -","- C120 H136 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0678","0.0502","","","0.2083","0.2259","","","","","","1.021","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242674","13.896","0.003","4.8595","0.0011","15.28","0.004","90","","111.44","0.03","90","","960.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ag2 N2 O5 S -","- C6 H4 Ag2 N2 O5 S -","- C24 H16 Ag8 N8 O20 S4 -","4","1","","Lin, Yuan; Jiang, Huijie; Liang, Guangling; Deng, Wei-Hua; Li, Qiaohong; Li, Wen-Hua; Xu, Gang","The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor","CrystEngComm","2021","23","19","3549","3556","10.1039/D1CE00347J","","","0.71073","MoKα","","0.066","0.0436","","","0.0736","0.0796","","","","","","1.038","","","","has coordinates","265950","2021-06-05","18:09:15",""
"7242677","4.8625","0.0006","27.236","0.003","16.031","0.002","90","","97.22","0.004","90","","2106.2","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H19 Br3 N4 O -","- C20 H19 Br3 N4 O -","- C80 H76 Br12 N16 O4 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0718","0.0427","","","0.0854","0.0954","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242678","4.6889","0.0002","27.4022","0.0012","16.2907","0.0007","90","","95.444","0.002","90","","2083.69","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 Cl3 N4 O2 -","- C20 H21 Cl3 N4 O2 -","- C80 H84 Cl12 N16 O8 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0352","0.0319","","","0.0794","0.0815","","","","","","1.042","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242679","7.9128","0.0005","12.1194","0.0007","14.6144","0.0009","111.868","0.003","97.267","0.003","95.94","0.003","1272.82","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C40 H38 Cl6 N8 O26 -","2","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.081","0.074","","","0.2187","0.2272","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242680","28.619","0.0012","14.2049","0.0005","14.1485","0.0006","90","","100.174","0.0014","90","","5661.4","0.4","150","2","150.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Ce2 N5 O20 -","- C47 H55 Ce2 N5 O20 -","- C188 H220 Ce8 N20 O80 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1","0.1019","","","","","","1.233","","","","has coordinates,has disorder","265993","2021-06-05","18:20:51",""
"7242681","28.4297","0.0013","14.2555","0.0006","13.8161","0.0005","90","","100.144","0.002","90","","5511.9","0.4","150","2","150.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 Gd2 N5 O19 -","- C47 H53 Gd2 N5 O19 -","- C188 H212 Gd8 N20 O76 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0492","0.0441","","","0.1195","0.1218","","","","","","1.087","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242682","28.698","0.004","14.307","0.002","13.8772","0.0019","90","","99.521","0.004","90","","5619.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Eu N2 O9 -","- C22 H23 Eu N2 O9 -","- C176 H184 Eu8 N16 O72 -","8","1","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0886","0.0554","","","0.1552","0.1687","","","","","","1.094","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242683","19.6983","0.001","19.6983","0.001","45.34","0.002","90","","90","","120","","15236","1.3","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Dy2 O16.5 -","- C32 H23 Dy2 O16.5 -","- C288 H207 Dy18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0436","0.0371","","","0.1042","0.1087","","","","","","1.057","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242684","28.5809","0.0012","14.1925","0.0006","14.113","0.0005","90","","99.9937","0.0013","90","","5637.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Pr2 -","- C47 H53 N5 O19 Pr2 -","- C188 H212 N20 O76 Pr8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0466","0.0437","","","0.1029","0.1042","","","","","","1.169","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242685","28.531","0.002","14.3021","0.0009","13.7731","0.0009","90","","100.718","0.002","90","","5522.1","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Sm2 -","- C47 H53 N5 O19 Sm2 -","- C188 H212 N20 O76 Sm8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0566","0.0428","","","0.1071","0.1125","","","","","","1.06","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242686","19.6548","0.0011","19.6548","0.0011","45.295","0.003","90","","90","","120","","15153.7","1.6","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Ho2 O16.5 -","- C32 H23 Ho2 O16.5 -","- C288 H207 Ho18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0533","0.0424","","","0.1246","0.1305","","","","","","1.086","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242687","10.5841","0.0011","7.8503","0.0006","14.9718","0.0013","90","","101.399","0.009","90","","1219.44","0.19","293.3","0.7","293.3","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotam, Tolfedine,2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid","tolfenamic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J.","The unexpected discovery of the ninth polymorph of tolfenamic acid","CrystEngComm","2021","23","20","3636","3647","10.1039/D1CE00343G","","x-ray","0.71073","MoKα","","0.1288","0.0577","","","0.0992","0.1247","","","","","","1.038","","","","has coordinates","265965","2021-06-05","18:12:12",""
"7242694","24.2206","0.001","18.2735","0.001","17.7634","0.0008","90","","90","","90","","7862","0.6","293","2","293.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H24 Cu2 N2 O10 -","- C28 H24 Cu2 N2 O10 -","- C224 H192 Cu16 N16 O80 -","8","1","","Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng","A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions","CrystEngComm","2021","23","22","3989","3994","10.1039/D1CE00251A","","x-ray","1.54184","CuKα","","0.1148","0.0851","","","0.1985","0.2118","","","","","","0.968","","","","has coordinates,has disorder","267113","2021-07-05","17:08:19",""
"7242698","11.385","0.004","5.4371","0.0018","14.32","0.005","90","","105.333","0.005","90","","854.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N4 -","- C24 H20 Co N4 -","- C48 H40 Co2 N8 -","2","0.5","","Takahashi, Yukihiro; Ishida, Kenshiro; Matsuno, Sarasa; Kurokawa, Masashi; Shimada, Takuro; Harada, Jun; Inabe, Tamotsu","Charge injection phenomena at the contact interface between (5,10,15,20-tetramethylporphyrinato)cobalt(ii) and 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane single crystals","CrystEngComm","2021","23","22","3975","3980","10.1039/D1CE00299F","","","0.71073","MoKα","","0.0818","0.0593","","","0.1303","0.1394","","","","","","1.091","","","","has coordinates","267117","2021-07-05","17:08:57",""
"7242699","8.4385","0.0017","11.64","0.002","15.505","0.003","72.57","0.006","78.032","0.007","77.754","0.007","1403","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0997","0.0545","","","0.1182","0.1435","","","","","","1.022","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242700","11.6933","0.0006","19.4475","0.0009","15.7924","0.0007","90","","104.568","0.005","90","","3475.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37.5 H29.5 Cl4.5 Ir N3 O2 -","- C37.5 H29.5 Cl4.5 Ir N3 O2 -","- C150 H118 Cl18 Ir4 N12 O8 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host–guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1279","0.1396","","","","","","1.015","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7242701","9.5848","0.0006","11.213","0.0006","15.3359","0.0006","79.265","0.004","87.618","0.004","83.077","0.005","1607.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Rac-pq-DL-pca","","- C36 H30 Ir N3 O2 -","- C36 H30 Ir N3 O2 -","- C72 H60 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0659","0.0532","","","0.1317","0.1622","","","","","","1.186","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242702","10.9116","0.0009","12.8156","0.0008","11.1952","0.001","90","","116.915","0.011","90","","1395.9","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Ir N3 O2 -","- C36 H28 Ir N3 O2 -","- C72 H56 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0538","0.0501","","","0.1239","0.1296","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242703","17.1672","0.0003","17.1672","0.0003","11.4013","0.0004","90","","90","","90","","3360.11","0.14","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","Δ-D-pca","","- C37 H34 Ir N3 O3 -","- C37 H34 Ir N3 O3 -","- C148 H136 Ir4 N12 O12 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0482","0.0395","","","0.0855","0.0889","","","","","","1.004","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242704","11.0806","0.0002","14.0971","0.0003","27.4716","0.0006","90","","96.807","0.002","90","","4260.93","0.15","100.5","0.7","100.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0954","0.0806","","","0.2378","0.2496","","","","","","1.045","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242705","7.119","0.0003","20.3309","0.0011","9.5266","0.0004","90","","96.058","0.002","90","","1371.14","0.11","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1189","0.0584","","","0.1311","0.1651","","","","","","1.034","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242706","8.5788","0.0003","11.5484","0.0004","15.5295","0.0004","71.665","0.001","76.089","0.001","77.225","0.001","1399.8","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","3ma","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.127","","","","","","1.04","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242707","11.172","0.0003","14.4058","0.0003","28.4891","0.0008","90","","99.187","0.002","90","","4526.3","0.2","372.99","0.13","372.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1224","0.0752","","","0.2266","0.2553","","","","","","1.024","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242708","11.1207","0.0003","14.2524","0.0003","28.2337","0.0007","90","","98.503","0.002","90","","4425.76","0.19","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.098","0.0635","","","0.1919","0.2144","","","","","","1.048","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242709","11.0967","0.0002","14.131","0.0003","27.593","0.0006","90","","97.044","0.002","90","","4294.13","0.15","152.95","0.1","152.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0953","0.0775","","","0.229","0.2421","","","","","","1.036","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242710","11.1435","0.0003","14.3229","0.0004","28.3951","0.0009","90","","98.853","0.003","90","","4478.1","0.2","332.99","0.1","332.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1092","0.0648","","","0.1934","0.221","","","","","","1.018","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242711","11.1134","0.0002","14.2035","0.0003","28.0547","0.0007","90","","98.077","0.002","90","","4384.48","0.17","252.98","0.1","252.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.11","0.083","","","0.2268","0.2477","","","","","","1.046","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242712","10.5542","0.0002","17.6038","0.0004","16.6076","0.0003","90","","91.163","0.002","90","","3084.96","0.11","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H27 Ir N3 O2 -","- C36 H26.5 Ir N3 O2 -","- C144 H106 Ir4 N12 O8 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host–guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0348","0.0334","","","0.094","0.0951","","","","","","1.09","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7242713","12.1359","0.0003","13.8894","0.0003","13.9395","0.0003","92.898","0.002","97.773","0.002","100.49","0.002","2282.32","0.09","130","2","129.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N16 Na4 O12 W2 -","- C32 H28 N16 Na4 O12 W2 -","- C64 H56 N32 Na8 O24 W4 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.7107","MoKα","","0.0575","0.0349","","","0.0629","0.0711","","","","","","1.07","","","","has coordinates","267099","2021-07-05","17:04:07",""
"7242714","8.5595","0.0002","9.8622","0.0001","13.8861","0.0003","94.349","0.001","99.66","0.002","98.206","0.001","1137.75","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 N9 Na2 O4.9 W -","- C18 H11 N9 Na2 O4.872 W -","- C36 H22 N18 Na4 O9.744 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.71073","MoKα","","0.0542","0.0469","","","0.1191","0.1232","","","","","","1.076","","","","has coordinates,has disorder","267099","2021-07-05","17:04:07",""
"7242716","11.4747","0.0007","26.5116","0.0014","15.3274","0.0009","90","","103.836","0.006","90","","4527.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy F9 N2 O6 -","- C45 H36 Dy F9 N2 O6 -","- C180 H144 Dy4 F36 N8 O24 -","4","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.1743","0.088","","","0.1966","0.283","","","","","","0.999","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242717","12.7036","0.0011","12.9201","0.0012","16.3475","0.0015","78.309","0.008","76.098","0.008","65.756","0.009","2358.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","1","0.5","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","x-ray","1.54184","CuKα","","0.13","0.0876","","","0.1865","0.2279","","","","","","1.037","","","","has coordinates,has disorder","267115","2021-07-05","17:08:43",""
"7242718","45.84","0.002","19.6673","0.0006","25.2882","0.0011","90","","115.257","0.003","90","","20619.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H34 Dy F9 N4 O6 -","- C51 H34 Dy F9 N4 O6 -","- C816 H544 Dy16 F144 N64 O96 -","16","2","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)–K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.135","0.0845","","","0.2448","0.3027","","","","","","0.944","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7242719","13.9641","0.0006","13.0136","0.0005","11.2102","0.0005","90","","101.341","0.001","90","","1997.38","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0536","0.0511","","","0.134","0.1363","","","","","","1.064","","","","has coordinates","267118","2021-07-05","17:09:09",""
"7242720","10.945","0.003","13.203","0.005","15.214","0.005","111.931","0.012","95.97","0.012","94.038","0.012","2014.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0415","0.0362","","","0.1105","0.1156","","","","","","1.028","","","","has coordinates","267118","2021-07-05","17:09:10",""
"7242721","4.883","0.0001","15.353","0.0005","30.034","0.0008","90","","93.087","0.001","90","","2248.34","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O7 -","- C22 H29 N3 O7 -","- C88 H116 N12 O28 -","4","1","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1109","0.1146","","","","","","1.047","","","","has coordinates,has disorder","267118","2021-07-05","17:09:10",""
"7242722","9.4972","0.0018","14.745","0.003","13.181","0.002","90","","90","","90","","1845.8","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Br4 N2 O4 -","- C16 H8 Br4 N2 O4 -","- C64 H32 Br16 N8 O16 -","4","0.5","","Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat","Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission","CrystEngComm","2021","23","19","3510","3523","10.1039/D1CE00020A","","","0.71073","MoKα","","0.053","0.0278","","","0.054","0.0624","","","","","","1.017","","","","has coordinates","265949","2021-06-05","18:09:09",""
"7242723","17.673","0.004","8.2835","0.0016","21.405","0.003","90","","109.922","0.012","90","","2946","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl N7 O5 S -","- C25 H38 Cl N7 O5 S -","- C100 H152 Cl4 N28 O20 S4 -","4","1","","Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Desolvation of dasatinib methanolate: an improved anhydrous polymorph","CrystEngComm","2021","23","24","4272","4283","10.1039/D1CE00337B","","","0.71073","MoKα","","0.0749","0.0492","","","0.1223","0.1392","","","","","","1.041","","","","has coordinates,has disorder","267108","2021-07-05","17:06:50",""
"7242724","7.6879","0.0001","16.0216","0.0004","25.5781","0.0006","90","","90","","90","","3150.52","0.12","293","2","293","2","","","","","","","synthesis as described","5","P b n b","-P 2bc 2ab","56","Compound MOF","","","- C31 H30 Co2 N4 O12 -","- C31 H30 Co2 N4 O12 -","- C124 H120 Co8 N16 O48 -","4","0.5","","Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María","Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF","CrystEngComm","2021","23","19","3537","3548","10.1039/D0CE00741B","","x-ray","0.71073","MoKα","","0.1092","0.0687","","","0.1972","0.2266","","","","","","1.092","","","","has coordinates","265953","2021-06-05","18:10:11",""
"7242725","12.501","0.003","7.2941","0.0015","15.655","0.003","90","","102.12","0.03","90","","1395.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cd N O6 -","- C14 H6 Cd N O6 -","- C56 H24 Cd4 N4 O24 -","4","1","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.0292","0.0262","","","0.0757","0.0777","","","","","","1.16","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242726","15.1651","0.0003","10.8557","0.0002","16.4832","0.0003","90","","104.808","0.001","90","","2623.47","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Cd3 N2 O12 -","- C28 H12 Cd3 N2 O12 -","- C112 H48 Cd12 N8 O48 -","4","0.5","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.019","0.0186","","","0.0435","0.0437","","","","","","1.125","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242727","15.113","0.009","7.205","0.004","8.356","0.004","90","","90","","90","","909.9","0.9","250","0.1","250","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","0.5","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0832","0.0513","","","0.1384","0.1647","","","","","","1.057","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242728","16.306","0.005","6.98","0.002","15.165","0.006","90","","90","","90","","1726","1","99.9","0.2","99.9","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.1079","0.1198","","","","","","1.056","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242729","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","271181","2021-12-07","03:10:18",""
"7242730","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","271181","2021-12-07","03:10:19",""
"7242731","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","267116","2021-07-05","17:08:51",""
"7242732","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","267116","2021-07-05","17:08:52",""
"7242741","7.1516","0.0005","15.1815","0.001","10.5616","0.0007","90","","90.44","0.002","90","","1146.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O8 -","- C10 H11 Dy O8 -","- C40 H44 Dy4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0258","0.0227","","","0.0564","0.058","","","","","","1.079","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242742","7.1288","0.0002","15.1653","0.0004","10.5514","0.0003","90","","90.462","0.001","90","","1140.68","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O8 Tb -","- C10 H11 O8 Tb -","- C40 H44 O32 Tb4 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0347","0.0241","","","0.0437","0.0475","","","","","","1.047","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242743","7.0577","0.0004","15.098","0.0007","10.5128","0.0005","90","","90.412","0.002","90","","1120.19","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 La O8 -","- C10 H7 La O8 -","- C40 H28 La4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0344","0.0321","","","0.0908","0.0926","","","","","","1.091","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242744","11.3341","0.0011","21.413","0.002","14.0095","0.0013","90","","108.101","0.002","90","","3231.8","0.5","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N16 Ni2 O36 P0 S4 W10 -","- C32 H40 N16 Ni2 O36 S4 W10 -","- C64 H80 N32 Ni4 O72 S8 W20 -","2","0.5","","Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue","Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria","CrystEngComm","2021","23","21","3919","3928","10.1039/D1CE00421B","","","0.71073","MoKα","","0.0477","0.0385","","","0.0945","0.0985","","","","","","1.022","","","","has coordinates","265994","2021-06-05","18:21:00",""
"7242745","12.1026","0.0004","16.5399","0.0008","19.7752","0.0007","90","","90","","90","","3958.5","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C168 H144 N16 O48 Zn8 -","8","1","","Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu","A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","22","4059","4068","10.1039/D1CE00323B","","x-ray","0.71073","MoKα","","0.1049","0.0656","","","0.158","0.186","","","","","","1.028","","","","has coordinates","267119","2021-07-05","17:09:17",""
"7242756","15.5044","0.0013","7.5706","0.0005","17.2282","0.0015","90","","110.423","0.002","90","","1895.1","0.3","301","2","301.18","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0.25 Cl N2 O5 Zn -","- C18 H11 Cl N2 O5 Zn -","- C72 H44 Cl4 N8 O20 Zn4 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","","0.71073","MoKα","","0.1124","0.0997","","","0.3133","0.3304","","","","","","1.444","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242757","15.4911","0.0004","7.5672","0.0002","17.2289","0.0005","90","","110.483","0.003","90","","1891.95","0.1","300.49","0.1","300.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cd Cl N2 O3.75 -","- C18 H13 Cd Cl N2 O5 -","- C72 H52 Cd4 Cl4 N8 O20 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","x-ray","0.71073","MoKα","","0.0578","0.0497","","","0.1791","0.1873","","","","","","1.436","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242758","3.8289","0.0004","17.8979","0.0017","16.8534","0.0016","90","","92.005","0.003","90","","1154.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium-organic Compound","","","- C11 H7 Cd N O5 S -","- C11 H7 Cd N O5 S -","- C44 H28 Cd4 N4 O20 S4 -","4","1","","Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar","Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water","CrystEngComm","2021","23","23","4160","4168","10.1039/D1CE00333J","","","0.71073","MoKα","","0.0378","0.0331","","","0.1063","0.1171","","","","","","1.361","","","","has coordinates","267132","2021-07-05","17:13:34",""
"7242759","7.878","0.0006","3.9147","0.0004","15.6886","0.0014","90","","102.569","0.007","90","","472.24","0.07","163","","163","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0624","0.0452","","","0.1146","0.1295","","","","","","1.054","","","","has coordinates","268688","2021-09-06","10:32:24",""
"7242760","7.8729","0.0008","3.9195","0.0005","15.7126","0.0018","90","","102.604","0.01","90","","473.17","0.1","178","","178","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0773","0.0512","","","0.123","0.1443","","","","","","1.008","","","","has coordinates","268688","2021-09-06","10:32:28",""
"7242761","7.8702","0.0009","3.9302","0.0006","15.732","0.002","90","","102.573","0.012","90","","474.94","0.11","193","","193","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0841","0.052","","","0.1191","0.1411","","","","","","0.995","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242762","7.8864","0.0007","3.9488","0.0005","15.774","0.002","90","","102.624","0.01","90","","479.36","0.1","238","","238","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.08","0.0489","","","0.1093","0.1304","","","","","","1.036","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242763","7.8846","0.0008","3.9372","0.0005","15.754","0.002","90","","102.594","0.012","90","","477.29","0.1","208","","208","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1259","0.0554","","","0.0911","0.1103","","","","","","0.89","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242764","7.8876","0.0007","3.9434","0.0004","15.7578","0.0019","90","","102.624","0.011","90","","478.28","0.09","223","","223","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0904","0.0533","","","0.1138","0.1367","","","","","","1.01","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242765","7.8728","0.0007","3.9608","0.0005","15.7845","0.0019","90","","102.664","0.009","90","","480.23","0.1","268","","268","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1077","0.0547","","","0.1249","0.1601","","","","","","1.003","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242766","7.8662","0.0004","3.966","0.0003","15.7823","0.0011","90","","102.696","0.006","90","","480.33","0.06","298","","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0724","0.0467","","","0.1153","0.1374","","","","","","1.046","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242767","7.8758","0.0008","3.9534","0.0005","15.7573","0.0016","90","","102.653","0.01","90","","478.71","0.09","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0956","0.0551","","","0.123","0.1554","","","","","","1.022","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242768","7.8868","0.001","3.9718","0.0005","15.822","0.002","90","","102.719","0.013","90","","483.46","0.11","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.12","0.0572","","","0.1209","0.1616","","","","","","1.005","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242769","19.7195","0.0004","8.9435","0.0002","37.5526","0.001","90","","90","","90","","6622.8","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.0608","0.0473","","","0.0888","0.0922","","","","","","1.154","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242770","19.7647","0.0007","8.9121","0.0004","38.0935","0.0015","90","","90","","90","","6710","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2_Hex","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.1142","0.0906","","","0.1879","0.1956","","","","","","1.285","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242771","3.8711","0.0003","11.149","0.001","32.557","0.003","90","","90","","90","","1405.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","E-ArF2","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.","Light-fueled rapid macroscopic motion of a green fluorescent organic crystal","CrystEngComm","2021","23","34","5876","5881","10.1039/D1CE00460C","","","0.71073","MoKα","","0.0487","0.0396","","","0.1265","0.141","","","","","","1.196","","","","has coordinates","268693","2021-09-06","10:33:19",""
"7242772","8.34","0.002","25.809","0.007","10.622","0.003","90","","94.689","0.007","90","","2278.7","1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1506","0.0765","","","0.1482","0.1784","","","","","","1.022","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242773","9.2955","0.001","9.6189","0.001","11.1769","0.0012","68.975","0.002","70.514","0.002","82.886","0.002","879.38","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C38 H40 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0489","0.041","","","0.1033","0.109","","","","","","1.037","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242774","9.4667","0.001","9.5371","0.001","10.9139","0.0011","71.045","0.002","72.014","0.002","82.789","0.002","886.04","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0588","0.0414","","","0.0963","0.1085","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242775","10.8013","0.0008","14.882","0.0011","16.5499","0.0012","100.215","0.0016","108.537","0.0016","109.034","0.0017","2264.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O5 -","- C24 H30 N4 O5 -","- C96 H120 N16 O20 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.09","0.05","","","0.1057","0.1257","","","","","","1.02","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242776","10.866","0.0005","12.6977","0.0006","15.5356","0.0007","90","","90","","90","","2143.5","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0405","0.0353","","","0.0936","0.0989","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242777","15.1775","0.0015","11.3912","0.0011","9.0508","0.0009","90","","99.279","0.002","90","","1544.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.069","0.0478","","","0.1104","0.1224","","","","","","1.019","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242778","8.985","0.0004","23.1322","0.0011","9.9624","0.0005","90","","109.782","0.001","90","","1948.42","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0698","0.0483","","","0.1026","0.1153","","","","","","1.028","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242779","12.3392","0.0012","8.4864","0.0008","34.065","0.003","90","","99.814","0.002","90","","3514.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C160 H176 N32 O16 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.103","0.0586","","","0.1199","0.1412","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242780","8.2337","0.0009","10.7773","0.0012","12.997","0.0014","98.025","0.003","97.959","0.003","91.457","0.003","1129.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0839","0.0532","","","0.1141","0.1283","","","","","","1.03","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242781","12.7245","0.0007","9.4309","0.0005","17.0038","0.0009","90","","100.219","0.001","90","","2008.15","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O3 -","- C21 H26 N4 O3 -","- C84 H104 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.075","0.0459","","","0.1053","0.1213","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242782","13.2527","0.0011","13.5955","0.0011","14.5032","0.0012","112.5","0.0017","98.1336","0.0017","104.91","0.0018","2247.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C100 H108 N20 O8 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0831","0.053","","","0.1278","0.1466","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242783","8.0523","0.001","10.7345","0.0013","13.0559","0.0016","97.828","0.003","97.868","0.003","91.711","0.003","1106.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1072","0.0584","","","0.1163","0.1403","","","","","","1.009","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242784","10.5144","0.0006","13.2689","0.0007","15.6124","0.0008","90","","91.5967","0.0012","90","","2177.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O3 -","- C24 H28 N4 O3 -","- C96 H112 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0754","0.0473","","","0.1031","0.1177","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242785","12.5231","0.0009","12.9844","0.001","13.4742","0.001","103.876","0.0016","96.9424","0.0017","97.186","0.0017","2084.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O3 -","- C22 H28 N4 O3 -","- C88 H112 N16 O12 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0905","0.0572","","","0.1335","0.151","","","","","","1.014","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242786","12.6677","0.0014","9.9394","0.0011","16.7019","0.0018","90","","101.334","0.002","90","","2061.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C88 H100 N20 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0756","0.0474","","","0.1106","0.1266","","","","","","1.016","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242787","14.6755","0.0014","17.8903","0.0016","16.1564","0.0015","90","","91.586","0.002","90","","4240.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C176 H208 N32 O32 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1134","0.0553","","","0.1041","0.1302","","","","","","1.01","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242788","12.8477","0.0015","10.4635","0.0011","26.812","0.003","90","","93.96","0.002","90","","3595.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N8 O10 -","- C36 H36 N8 O10 -","- C144 H144 N32 O40 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.0933","0.0576","","","0.1389","0.1618","","","","","","1.022","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242789","6.428","0.005","10.302","0.008","25.248","0.019","90","","89.053","0.015","90","","1672","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N6 O8 -","- C40 H30 N6 O8 -","- C80 H60 N12 O16 -","2","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.1253","0.0836","","","0.2318","0.2924","","","","","","1.078","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242797","24.8541","0.0011","6.7596","0.0003","15.6816","0.0006","90","","104.869","0.004","90","","2546.35","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2ECN","","- C2.75 H1.83 N0.17 O0.17 -","- C2.75 H1.83333 N0.166667 O0.166667 -","- C132 H88 N8 O8 -","48","12","","Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro","Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene","CrystEngComm","2021","23","34","5869","5875","10.1039/D1CE00456E","","x-ray","0.71073","MoKα","","0.1206","0.0617","","","0.1564","0.1927","","","","","","1.013","","","","has coordinates","268689","2021-09-06","10:32:38",""
"7242798","18.892","0.004","6.2547","0.0015","24.173","0.006","90","","104.589","0.004","90","","2764.3","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine fumaric acid cocrystal","","- C10 H16.22 Cl N5 O2.11 -","- C10 H16.22 Cl N5 O2.11 -","- C80 H129.76 Cl8 N40 O16.88 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0971","0.0863","","","0.2048","0.2128","","","","","","1.168","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242799","9.1659","0.0007","9.5067","0.0008","9.6825","0.0008","77.541","0.007","72.346","0.007","67.479","0.007","737.89","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N6 O3 S -","- C9 H18 N6 O3 S -","- C18 H36 N12 O6 S2 -","2","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0861","0.0657","","","0.1805","0.195","","","","","","1.046","","","","has coordinates,has disorder","267102","2021-07-05","17:05:24",""
"7242800","8.2238","0.0003","10.1689","0.0003","19.8066","0.0005","90","","99.017","0.003","90","","1635.9","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F3 N5 O2 S -","- C11 H18 F3 N5 O2 S -","- C44 H72 F12 N20 O8 S4 -","4","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0948","0.0711","","","0.2156","0.2365","","","","","","1.041","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242801","18.922","0.013","6.297","0.004","24.311","0.016","90","","104.748","0.006","90","","2801","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine Fumaric acid cocrystal (dehydrate)","","- C10 H16 Cl N5 O2 -","- C10 H16 Cl N5 O2 -","- C80 H128 Cl8 N40 O16 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0975","0.0879","","","0.205","0.2112","","","","","","1.229","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242802","13.9445","0.0012","19.9094","0.0016","10.1085","0.0009","90","","90","","90","","2806.4","0.4","298","2","298.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H66 Mn N14 O22 P2 -","- C44 H50 Mn N14 O22 P2 -","- C88 H100 Mn2 N28 O44 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","","0.71073","MoKα","","0.0968","0.0593","","","0.1472","0.1737","","","","","","1.025","","","","has coordinates,has disorder","267133","2021-07-05","17:13:43",""
"7242803","6.8541","0.0005","10.2632","0.0007","14.0271","0.001","111.04","0.002","93.282","0.002","92.104","0.002","917.7","0.11","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","amp-cd-bpe","","- C22 H42 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","1","1","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0244","0.0243","","","0.066","0.066","","","","","","1.085","","","","has coordinates","267133","2021-07-05","17:13:45",""
"7242804","13.9986","0.0005","19.9756","0.0007","10.1006","0.0004","90","","90","","90","","2824.44","0.18","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","damp-cd-bpe-MI-343","","- C45 H62 Cd N14 O19 P2 -","- C45 H50 Cd N14 O19 P2 -","- C90 H100 Cd2 N28 O38 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0626","0.0459","","","0.1151","0.1241","","","","","","1.027","","","","has coordinates,has disorder","267133","2021-07-05","17:13:45",""
"7242810","9.5008","0.0006","10.3315","0.0006","11.4636","0.0007","86.225","0.001","76.084","0.001","67.841","0.001","1011.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","1","0.5","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0637","0.0443","","","0.1162","0.126","","","","","","1.006","","","","has coordinates","265992","2021-06-05","18:20:23",""
"7242811","8.618","0.0011","9.1037","0.0012","13.5328","0.0017","79.294","0.002","72.69","0.002","74.067","0.002","968.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N2 O6 -","- C20 H22 Co N2 O6 -","- C40 H44 Co2 N4 O12 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0442","0.0346","","","0.0904","0.0968","","","","","","1.01","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242812","28.979","0.013","10.115","0.005","17.028","0.008","90","","95.201","0.011","90","","4971","4","296","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Co N4 O7 -","- C29 H23 Co N4 O7 -","- C232 H184 Co8 N32 O56 -","8","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1613","0.0925","","","0.2138","0.2539","","","","","","1.035","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242813","15.6969","0.0008","7.7903","0.0004","31.0089","0.0017","90","","94.603","0.001","90","","3779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co2 N6 O13 -","- C40 H34 Co2 N6 O13 -","- C160 H136 Co8 N24 O52 -","4","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1095","0.0545","","","0.1526","0.1855","","","","","","1.015","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242814","8.641","0.001","14.144","0.0017","17.121","0.002","82.368","0.003","76.967","0.003","73.737","0.003","1951.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Co N4 O8 -","- C36 H30 Co N4 O8 -","- C72 H60 Co2 N8 O16 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0943","0.0574","","","0.146","0.1667","","","","","","0.967","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242815","12.9385","0.0019","15.954","0.002","16.193","0.002","113.997","0.003","101.122","0.003","92.4","0.003","2969.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Co2 N10 O19 -","- C64 H51 Co2 N10 O19 -","- C128 H102 Co4 N20 O38 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1457","0.0596","","","0.1155","0.1458","","","","","","0.997","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242817","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","267109","2021-07-05","17:07:10",""
"7242818","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","267109","2021-07-05","17:07:10",""
"7242828","6.899","0.0006","9.0065","0.0008","10.5354","0.0009","67.043","0.002","74.813","0.0019","69.918","0.002","559.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0697","0.0668","","","0.156","0.16","","","","","","1.031","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242829","7.6854","0.0001","9.3757","0.0002","14.3001","0.0003","78.9336","0.0008","76.5682","0.0008","76.3666","0.0007","963.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0276","0.0243","","","0.0534","0.0549","","","","","","1.003","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242830","4.0202","0.0001","27.092","0.0011","13.0226","0.0005","90","","93.8344","0.001","90","","1415.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F10 I2 N2 -","- C30 H16 F10 I2 N2 -","- C60 H32 F20 I4 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0357","0.0327","","","0.0589","0.0598","","","","","","1.252","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242831","7.42","0.0004","17.8302","0.001","35.8919","0.0019","90","","90","","90","","4748.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C192 H128 F24 I24 N16 -","8","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0507","0.0358","","","0.0712","0.0768","","","","","","1.009","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242832","5.511","0.0003","18.5899","0.0011","23.7423","0.0013","90","","90","","90","","2432.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C96 H64 F12 I12 N8 -","4","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0485","0.0317","","","0.0626","0.0706","","","","","","1.01","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242833","7.782","0.0003","33.4952","0.0014","9.1815","0.0004","90","","114.99","0.0011","90","","2169.2","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 F6 I6 N2 -","- C44 H28 F6 I6 N2 -","- C88 H56 F12 I12 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0432","0.0353","","","0.0825","0.0863","","","","","","1.048","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242834","12.3957","0.0005","17.8774","0.0006","13.0708","0.0005","90","","115.915","0.001","90","","2605.26","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 N4 -","- C28 H16 F4 I2 N4 -","- C112 H64 F16 I8 N16 -","4","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.043","0.0335","","","0.0843","0.0908","","","","","","1.023","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242835","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","268690","2021-09-06","10:32:56",""
"7242836","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","268690","2021-09-06","10:32:57",""
"7242837","16.4415","0.0004","11.6143","0.0003","16.8425","0.0004","90","","118.923","0.001","90","","2815.03","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F2 N2 -","- C16 H16 F2 N2 -","- C128 H128 F16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0487","0.0384","","","0.0982","0.1055","","","","","","1.044","","","","has coordinates","267121","2021-07-05","17:10:25",""
"7242838","10.6079","0.0003","42.6839","0.0012","8.2782","0.0002","90","","128.984","0.001","90","","2913.6","0.14","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 Cl2 N2 -","- C15 H14 Cl2 N2 -","- C120 H112 Cl16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.035","0.0339","","","0.09","0.0907","","","","","","1.046","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242839","9.8974","0.0006","9.9742","0.0006","11.0128","0.0007","75.198","0.002","77.861","0.003","63.236","0.002","932.76","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Cl2 N2 -","- C19 H22 Cl2 N2 -","- C38 H44 Cl4 N4 -","2","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","","0.71073","MoKα","","0.0353","0.033","","","0.0886","0.0904","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242840","16.0655","0.0018","8.3654","0.0009","20.616","0.002","90","","93.309","0.005","90","","2766.1","0.5","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C104 H64 Cl32 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0271","0.023","","","0.0581","0.0611","","","","","","1.041","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242841","8.3329","0.0003","8.5627","0.0003","21.7172","0.0007","90","","90","","90","","1549.57","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0339","0.03","","","0.0716","0.0746","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242842","24.677","0.005","21.78","0.005","25.025","0.005","90","0.005","109.5","0.005","90","0.005","12679","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 O15 Zn4 -","- C42 H24 N2 O15 Zn4 -","- C168 H96 N8 O60 Zn16 -","4","1","","Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min","A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection","CrystEngComm","2021","23","21","3901","3906","10.1039/D1CE00331C","","","0.71069","MoKα","","0.1188","0.0578","","","0.1774","0.244","","","","","","0.718","","","","has coordinates","265990","2021-06-05","18:20:03",""
"7242854","5.9222","0.0017","13.176","0.004","26.122","0.008","90","","90","","90","","2038.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0737","0.0467","","","0.0863","0.0917","","","","","","1.036","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242855","7.8376","0.0016","10.864","0.002","24.59","0.005","90","","90","","90","","2093.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C84 H80 Br4 N4 O20 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0603","0.0453","","","0.1011","0.1058","","","","","","1.027","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242856","6.4439","0.0003","7.6636","0.0004","20.6198","0.001","90","","95.354","0.004","90","","1013.83","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C42 H40 Br2 N2 O8 S2 -","2","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","x-ray","0.71073","MoKα","","0.0727","0.0683","","","0.1848","0.1911","","","","","","1.028","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242857","11.0865","0.0015","11.0865","0.0015","16.544","0.005","90","","90","","90","","2033.4","0.7","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0715","0.0551","","","0.1202","0.1248","","","","","","1.024","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242858","8.1982","0.0003","11.5358","0.0005","12.9597","0.0006","103.868","0.004","103.308","0.004","107.779","0.004","1070.33","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F Fe N3 O6 -","- C24 H17 F Fe N3 O6 -","- C48 H34 F2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0686","0.0629","","","0.1706","0.1762","","","","","","1.101","","","","has coordinates","267114","2021-07-05","17:08:28",""
"7242859","12.1991","0.0002","9.3756","0.0002","19.0747","0.0004","90","","95.6028","0.0019","90","","2171.22","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Fe I N3 O6 -","- C24 H17 Fe I N3 O6 -","- C96 H68 Fe4 I4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0675","0.0598","","","0.1651","0.1704","","","","","","1.092","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242860","8.2215","0.0002","11.9651","0.0003","12.8982","0.0003","105.94","0.002","105.557","0.002","104.264","0.002","1102.95","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl Fe N3 O6 -","- C24 H17 Cl Fe N3 O6 -","- C48 H34 Cl2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0813","0.0755","","","0.2066","0.2119","","","","","","1.045","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242861","12.2056","0.0001","9.3067","0.0001","18.8067","0.0002","90","","94.801","0.001","90","","2128.83","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br Fe N3 O6 -","- C24 H17 Br Fe N3 O6 -","- C96 H68 Br4 Fe4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0489","0.0457","","","0.1206","0.1237","","","","","","1.056","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242862","22.6762","0.0012","24.9574","0.0012","32.1099","0.0016","90","","90","","90","","18172.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C460 H292 Cl28 Co56 N160 O72 S48 -","4","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0644","0.0435","","","0.1087","0.119","","","","","","0.984","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242863","19.899","0.003","18.907","0.003","25.949","0.004","90","","90","","90","","9763","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H36 Cl Co4 N11 O10 S4 -","- C41 H36 Cl Co4 N11 O10 S4 -","- C328 H288 Cl8 Co32 N88 O80 S32 -","8","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0574","0.0348","","","0.0666","0.0742","","","","","","1.035","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242864","25.8926","0.0009","25.8926","0.0009","18.9542","0.0007","90","","90","","120","","11004.9","0.7","150","2","150","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C216 H132 Cl8 Co28 N60 O50 S24 -","2","0.166667","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.067","0.0523","","","0.1342","0.1484","","","","","","1.056","","","","has coordinates,has disorder","267103","2021-07-05","17:05:47",""
"7242865","15.8696","0.0018","18.177","0.002","33.267","0.004","96.052","0.004","95.278","0.004","108.469","0.003","8970.9","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H88 Co14 N30 O31 S12 -","- C116 H81 Co14 N30 O31 S12 -","- C232 H162 Co28 N60 O62 S24 -","2","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.1029","0.0623","","","0.163","0.1824","","","","","","0.968","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242874","9.4388","0.00002","3.71","0.000014","15.0549","0.00003","90","","104.552","0.003","90","","510.279","0.007","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.71073","MoKα","","0.0266","0.026","","0.0666","0.066","0.0666","","","","","","0.9909","","","","has coordinates","267123","2021-07-05","17:10:49",""
"7242875","9.28","0.01","3.3957","0.0003","14.64","0.003","90","","104.34","0.05","90","","447","0.5","293","","293","","","","2110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.049","0.0396","","0.1103","0.1041","0.1103","","","","","","1.0345","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242876","9.191","0.012","3.3508","0.0004","14.562","0.003","90","","104.44","0.06","90","","434.3","0.6","293","","293","","","","2910000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.093","0.0707","","0.2935","0.2252","0.1772","","","","","","0.9887","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242877","9.327","0.01","3.462","0.0003","14.734","0.003","90","","104.37","0.05","90","","460.9","0.5","293","","293","","","","1300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0534","0.0423","","0.1951","0.1669","0.0938","","","","","","1.0109","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242878","9.348","0.013","3.5161","0.0004","14.834","0.003","90","","104.56","0.07","90","","471.9","0.7","293","","293","","","","940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0781","0.0702","","0.2023","0.1853","0.2023","","","","","","1.0951","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242879","9.409","0.011","3.6033","0.0003","14.945","0.003","90","","104.55","0.06","90","","490.4","0.6","293","","293","","","","330000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0811","0.0676","","0.6141","0.3208","0.1568","","","","","","0.9877","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242880","9.084","0.016","3.3013","0.0005","14.495","0.004","90","","104.62","0.08","90","","420.6","0.8","293","","293","","","","3940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.078","0.0626","","0.2217","0.1978","0.1312","","","","","","0.8998","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242881","9.323","0.011","3.4191","0.0004","14.678","0.003","90","","104.31","0.06","90","","453.4","0.6","293","","293","","","","1760000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0458","0.0359","","0.1147","0.1103","0.0571","","","","","","1.0008","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242882","9.24","0.012","3.371","0.0004","14.596","0.003","90","","104.46","0.06","90","","440.2","0.6","293","","293","","","","2540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0717","0.0488","","0.1445","0.1346","0.0944","","","","","","1.0084","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242883","9.07","0.02","3.268","0.0007","14.418","0.006","90","","104.63","0.11","90","","413.5","1","293","","293","","","","4560000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0768","0.0593","","0.1853","0.1598","0.1725","","","","","","1.0051","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242884","14.4874","0.0009","14.58","0.0009","22.5228","0.0015","103.963","0.003","91.48","0.003","116.861","0.003","4068.4","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H67 N Ni2 O28 Ti4 -","- C82 H67 N Ni2 O28 Ti4 -","- C164 H134 N2 Ni4 O56 Ti8 -","2","1","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","","0.71073","MoKα","","0.0934","0.0557","","","0.1464","0.1753","","","","","","1.008","","","","has coordinates","267106","2021-07-05","17:06:36",""
"7242885","13.2237","0.0002","15.5692","0.0002","30.2206","0.0004","78.592","0.001","79.325","0.001","71.855","0.001","5744.39","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","1","0.5","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","x-ray","1.54184","CuKα","","0.0527","0.0485","","","0.1356","0.1401","","","","","","1.066","","","","has coordinates,has disorder","267106","2021-07-05","17:06:37",""
"7242890","5.9524","0.0006","10.0773","0.0009","17.1337","0.0014","90","","90","","90","","1027.75","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1707","0.0714","","","0.1529","0.2228","","","","","","0.839","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242891","7.517","0.0005","12.5737","0.001","15.5867","0.001","89.941","0.006","77.478","0.005","75.976","0.006","1393.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N3 O2 -","- C13 H16 Cl N3 O2 -","- C52 H64 Cl4 N12 O8 -","4","2","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.165","0.0617","","","0.0943","0.1278","","","","","","0.975","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242892","8.7727","0.0004","10.1439","0.0005","16.8688","0.0009","100.796","0.004","93.143","0.004","112.422","0.004","1349.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl4 N6 O Zn -","- C26 H26 Cl4 N6 O Zn -","- C52 H52 Cl8 N12 O2 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1049","0.0636","","","0.0884","0.1033","","","","","","1.072","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242893","12.1724","0.0001","9.6326","0.0003","6.7045","0.0001","104.858","0.0003","104.436","0.0001","85.7581","0.0001","735.8","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl3 N3 Zn -","- C13 H12 Cl3 N3 Zn -","- C26 H24 Cl6 N6 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0089","1.29098","","","","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242894","7.144","0.008","12.849","0.017","15.65","0.02","75.61","0.03","83.28","0.03","83.22","0.03","1376","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Co N5 O10 S -","- C23 H33 Co N5 O10 S -","- C46 H66 Co2 N10 O20 S2 -","2","1","","Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin","A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+","CrystEngComm","2021","23","24","4370","4381","10.1039/D1CE00404B","","","0.71073","MoKα","","0.1043","0.0528","","","0.0979","0.1131","","","","","","1.011","","","","has coordinates","267104","2021-07-05","17:05:54",""
"7242895","6.8212","0.0003","13.3401","0.0005","18.5886","0.0007","80.8654","0.0017","89.4342","0.0017","81.6705","0.0016","1652.26","0.11","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","4","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0663","0.0574","","","0.1321","0.1396","","","","","","1.191","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242896","6.8504","0.0008","10.7265","0.0013","12.3293","0.0015","107.962","0.004","95.521","0.004","95.436","0.004","850.38","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","7-methoxycoumarin","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.1105","0.0708","","","0.1792","0.2183","","","","","","1.115","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242897","6.8137","0.0003","10.6684","0.0005","12.4313","0.0006","108.189","0.0015","95.2297","0.0015","95.2045","0.0015","848.11","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0868","0.0627","","","0.1386","0.1625","","","","","","1.114","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242898","14.6312","0.0007","12.0469","0.0006","18.6651","0.001","90","","90","","90","","3289.9","0.3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C160 H128 O48 -","8","1","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0535","0.0511","","","0.1336","0.1368","","","","","","1.305","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242899","10.3129","0.0004","16.4452","0.0006","14.8941","0.0005","90","","103.446","0.002","90","","2456.77","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Na3.8 O45 Ru2 W8 -","- C12 H12 Na3.8 O45 Ru2 W8 -","- C24 H24 Na7.6 O90 Ru4 W16 -","2","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.1002","0.0513","","","0.112","0.1285","","","","","","0.948","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242900","25.8211","0.0011","16.9966","0.0007","17.3342","0.0007","90","","127.743","0.001","90","","6015.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na6 O52 Ru2 W8 -","- C12 H12 Na6 O52 Ru2 W8 -","- C48 H48 Na24 O208 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0784","0.0812","","","","","","1.032","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242901","20.5086","0.0008","17.1615","0.0007","17.3902","0.0008","90","","93.08","0.004","90","","6111.8","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H54 Na4 O48.95 Ru2 W8 -","- C12 H12 Na4 O48.95 Ru2 W8 -","- C48 H48 Na16 O195.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0499","0.0372","","","0.091","0.0966","","","","","","1.061","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242902","24.1881","0.0007","18.2571","0.0006","16.5476","0.0006","90","","125.354","0.001","90","","5959.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C48 H48 Na2 O154.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0926","0.0532","","","0.1379","0.1518","","","","","","1.045","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242903","25.5718","0.0004","17.0393","0.0003","17.3183","0.0003","90","","127.656","0.001","90","","5974.14","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C48 H48 Na16.8 O217.6 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0578","0.0396","","","0.082","0.089","","","","","","1.07","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242904","41.592","0.007","16.437","0.003","14.21","0.003","90","","90.489","0.011","90","","9714","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N4 O13 Zn2 -","- C50 H36 N4 O13 Zn2 -","- C400 H288 N32 O104 Zn16 -","8","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0749","0.043","","","0.1262","0.1431","","","","","","1.004","","","","has coordinates,has disorder","267122","2021-07-05","17:10:40",""
"7242905","14.2507","0.0004","19.6734","0.0007","16.6986","0.0005","90","","98.1584","0.0018","90","","4634.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cd2 N4 O12 -","- C52 H40 Cd2 N4 O12 -","- C208 H160 Cd8 N16 O48 -","4","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0565","0.0396","","","0.0985","0.1067","","","","","","1.037","","","","has coordinates","267122","2021-07-05","17:10:40",""
"7242907","13.0012","0.0007","20.168","0.0008","38.2835","0.0016","90","","93.6201","0.0018","90","","10018.2","0.8","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C108 H156 Cl8 K40 N54 O256 V96 -","4","1","","Greiner, Simon; Anjass, Montaha; Streb, Carsten","Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework","CrystEngComm","2021","23","22","3946","3950","10.1039/D1CE00661D","","","0.71073","MoKα","","0.1005","0.0792","","","0.1389","0.1469","","","","","","1.156","","","","has coordinates","267111","2021-07-05","17:08:02",""
"7242918","23.6033","0.0008","23.6033","0.0008","23.6033","0.0008","90","","90","","90","","13149.8","0.8","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H36 Co4 F3 N15 O10 S -","- C60 H36 Co4 F3 N15 O10 S -","- C240 H144 Co16 F12 N60 O40 S4 -","4","0.333333","","Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun","A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones","CrystEngComm","2021","23","26","4667","4673","10.1039/D1CE00545F","","","0.71073","MoKα","","0.0611","0.0394","","","0.0842","0.0908","","","","","","1.002","","","","has coordinates","268658","2021-09-06","10:26:12",""
"7242919","17.196","0.003","14.198","0.003","13.203","0.003","90","","90.97","0.03","90","","3223","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Dy Fe N14 O9 -","- C24 H23 B Dy Fe N14 O9 -","- C96 H92 B4 Dy4 Fe4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0571","0.0494","","","0.1332","0.138","","","","","","1.067","","","","has coordinates,has disorder","268662","2021-09-06","10:26:42",""
"7242920","17.194","0.003","14.188","0.003","13.177","0.003","90","","90.93","0.03","90","","3214.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Ho N14 O9 -","- C24 H23 B Fe Ho N14 O9 -","- C96 H92 B4 Fe4 Ho4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","Mokα","","0.0484","0.0402","","","0.1016","0.1059","","","","","","1.05","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242921","17.221","0.003","14.199","0.003","13.197","0.003","90","","90.93","0.03","90","","3226.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe N14 O9 Tb -","- C24 H23 B Fe N14 O9 Tb -","- C96 H92 B4 Fe4 N56 O36 Tb4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0611","0.0526","","","0.1475","0.1543","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242922","17.244","0.003","14.193","0.003","13.216","0.003","90","","90.93","0.03","90","","3234.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Gd N14 O9 -","- C24 H23 B Fe Gd N14 O9 -","- C96 H92 B4 Fe4 Gd4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0672","0.0617","","","0.1673","0.171","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242926","6.6598","0.0004","10.7886","0.0006","19.2106","0.0008","96.432","0.002","98.294","0.002","107.416","0.002","1285.5","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd Cl N6 O11 -","- C26 H16 Cd Cl N6 O11 -","- C52 H32 Cd2 Cl2 N12 O22 -","2","1","","Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong","A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism","CrystEngComm","2021","23","25","4513","4521","10.1039/D1CE00352F","","","0.71073","MoKα","","0.0329","0.0268","","","0.0664","0.0693","","","","","","1.084","","","","has coordinates","267126","2021-07-05","17:11:18",""
"7242927","8.6981","0.0005","12.6447","0.0006","12.8788","0.0007","81.679","0.004","77.685","0.004","78.768","0.004","1349.48","0.13","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8-(dimethylamino)-4,5-diphenylnaphthalen-1-yl)-","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0798","0.0522","","","0.1104","0.1233","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242928","10.7625","0.0005","32.3176","0.001","8.613","0.0003","90","","98.945","0.004","90","","2959.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclopentan-1,3-acenaphth[5,6-bc]azepine]-2,5-dione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1484","0.104","","","0.1877","0.2072","","","","","","1.15","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242929","8.4109","0.0002","9.6735","0.0003","17.0655","0.0005","90","","90.496","0.002","90","","1388.45","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5-diiodo-9,9-dimethyl-9H-fluorene","","- C15 H12 I2 -","- C15 H12 I2 -","- C60 H48 I8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0366","0.0289","","","0.0613","0.0646","","","","","","1.05","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242930","10.4257","0.0003","8.8243","0.0003","18.7805","0.0007","90","","101.546","0.003","90","","1692.83","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[1,3-dioxane-5,3-acenaphth[5,6-bc]azepine]-4,6-dione","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0764","0.0552","","","0.1024","0.1132","","","","","","1.094","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242931","8.7457","0.0005","9.3638","0.0007","11.2739","0.0007","108.887","0.006","91.171","0.005","113.671","0.006","787.91","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(6-(dimethylamino)-1,2-dihydroacenaphthylen-5-yl)propenoate,","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0683","0.0506","","","0.1229","0.136","","","","","","1.058","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242932","10.9539","0.0003","9.5493","0.0003","19.3902","0.0006","90","","104.652","0.003","90","","1962.3","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,2,8,8-Pentamethyl-1,2,3,4-tetrahydro-8H-spiro[1,3-dioxane-5,3-fluoreno[4,5-bcd]azocine]-4,6-dione","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0681","0.051","","","0.103","0.1109","","","","","","1.057","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242933","15.2738","0.0006","10.3218","0.0004","10.2175","0.0003","90","","93.356","0.003","90","","1608.06","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclohexan-1,3-acenaphth[5,6-bc]azepine]-2,6-dione","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0695","0.0514","","","0.1004","0.1111","","","","","","1.084","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242934","9.1836","0.0006","9.4806","0.0005","13.2584","0.0008","90","","99.767","0.007","90","","1137.62","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Dimethylamino-1,2-dihydroacenaphthylene-5-carbaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0607","0.0487","","","0.1057","0.1119","","","","","","1.067","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242935","9.7431","0.0003","6.9459","0.0002","12.1403","0.0004","90","","105.257","0.004","90","","792.63","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-1,2,3,4-tetrahydro-1,8,8-trimethyl-8H-fluoreno[4,5-bcd]azocine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.052","0.0462","","","0.0935","0.0961","","","","","","1.077","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242936","24.7956","0.0001","24.7956","0.0001","9.4744","0.0001","90","","90","","90","","5825.07","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4-(dimethylamino)-9,9-dimethyl-9H-fluorene-5-carbaldehyde","","- C18 H19 N O -","- C18 H19 N O -","- C288 H304 N16 O16 -","16","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0322","0.0314","","","0.0797","0.0803","","","","","","1.072","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242937","18.4256","0.0004","11.2921","0.0003","16.4939","0.0004","90","","99.223","0.002","90","","3387.42","0.14","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2-cyano-2-((4-(dimethylamino)-9,9-dimethyl-9H-fluoren-5-yl) propenenitrile","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0605","0.0478","","","0.1108","0.1188","","","","","","1.042","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242938","10.6932","0.0003","8.4601","0.0003","25.0272","0.0008","90","","101.328","0.003","90","","2219.99","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyano-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-methoxycarbonyl-methanide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0459","0.0399","","","0.1027","0.1067","","","","","","1.026","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242939","22.0584","0.0007","9.7183","0.0002","16.5596","0.0004","90","","99.142","0.003","90","","3504.79","0.16","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Dimethylamino-4,5-diphenylnaphthalene","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","","0.71073","MoKα","","0.0746","0.0476","","","0.1015","0.1137","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242940","9.8042","0.0002","15.4073","0.0004","52.7317","0.0011","90","","90","","90","","7965.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine,","","- C52 H46 N4 -","- C52 H46 N4 -","- C416 H368 N32 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0752","0.0524","","","0.1278","0.1423","","","","","","1.024","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242941","19.4622","0.0012","9.934","0.0008","29.6756","0.0015","90","","93.325","0.005","90","","5727.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6-dioxocyclohexan-1-ide","","- C32 H28 Cl3 N O2 -","- C32 H28 Cl3 N O2 -","- C256 H224 Cl24 N8 O16 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1795","0.0805","","","0.1354","0.1734","","","","","","1.018","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242942","12.6676","0.0005","9.9541","0.0003","15.1783","0.0006","90","","108.164","0.004","90","","1818.53","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dimethylamino-4,5-diphenylnaphthalene-8-carbaldehyde","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0799","0.0721","","","0.1891","0.1953","","","","","","1.082","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242943","6.0395","0.0003","13.8019","0.0008","14.6137","0.0009","67.4","0.005","86.108","0.004","81.742","0.004","1112.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium monomalonate,","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C56 H50 N2 O10 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1127","0.0644","","","0.1326","0.1563","","","","","","1.038","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242944","6.1138","0.0003","11.1707","0.0005","33.835","0.0017","90","","90","","90","","2310.78","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C26 H24 Cl3 N O -","- C26 H24 Cl3 N O -","- C104 H96 Cl12 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0918","0.0594","","","0.1074","0.1217","","","","","","1.023","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242949","10.269","0.005","16.787","0.008","20.919","0.008","90","","90","","90","","3606","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cu2 N10 O5 Zn -","- C34 H42 Cu2 N10 O5 Zn -","- C136 H168 Cu8 N40 O20 Zn4 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0533","0.0486","","","0.1272","0.1302","","","","","","1.121","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242950","19.337","0.008","20.605","0.008","21.248","0.009","90","","115.62","0.005","90","","7634","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cu2 N10 O4 Zn -","- C36 H44 Cu2 N10 O4 Zn -","- C288 H352 Cu16 N80 O32 Zn8 -","8","2","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0991","0.057","","","0.1469","0.182","","","","","","1.049","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7242951","13.0155","0.0007","13.2744","0.0007","4.9013","0.0002","90","","90","","90","","846.81","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H16 Cl2 N2 O8 -","- C13 H16 Cl2 N2 O8 -","- C26 H32 Cl4 N4 O16 -","2","0.5","","Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao","Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal","CrystEngComm","2021","23","31","5306","5313","10.1039/D1CE00680K","","","0.71073","MoKα","","0.0766","0.0657","","","0.197","0.212","","","","","","1.182","","","","has coordinates","268672","2021-09-06","10:29:18",""
"7242953","8.9676","0.0005","8.9772","0.0004","11.5304","0.0006","76.582","0.002","77.282","0.002","85.623","0.002","880.44","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C22 H19 O4 -","- C22 H19 O4 -","- C44 H38 O8 -","2","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0483","0.038","","","0.0939","0.1005","","","","","","1.042","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242954","21.1712","0.0015","15.3453","0.0008","11.4218","0.0008","90","","90","","90","","3710.7","0.4","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dimethyl-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate 1,4-xylene","","- C22.67 H21.33 O4 -","- C22.6664 H21.333 O4 -","- C181.331 H170.664 O32 -","8","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0714","0.053","","","0.1441","0.1601","","","","","","1.022","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242955","14.155","0.002","10.243","0.016","14.822","0.002","90","","114.922","0.015","90","","1949","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Cu2 F6 N2 O6 -","- C45 H27 Cu2 F6 N2 O6 -","- C90 H54 Cu4 F12 N4 O12 -","2","0.5","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.158","0.0891","","","0.2046","0.2562","","","","","","1.033","","","","has coordinates","267101","2021-07-05","17:04:27",""
"7242956","8.3115","0.0012","12.3766","0.0018","14.844","0.002","68.362","0.005","86.264","0.006","81.552","0.006","1403.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F6 O5 S -","- C30 H22 Cu F6 O5 S -","- C60 H44 Cu2 F12 O10 S2 -","2","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.0928","0.0618","","","0.1359","0.1504","","","","","","1.004","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242957","11.688","0.002","15.619","0.003","12.799","0.003","90","","107.847","0.008","90","","2224.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cu F3 N O5 -","- C25 H18 Cu F3 N O5 -","- C100 H72 Cu4 F12 N4 O20 -","4","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71073","MoKα","","0.0614","0.0464","","","0.1135","0.1233","","","","","","1.045","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242958","13.1512","0.0005","13.1512","0.0005","4.3773","0.0003","90","","90","","90","","757.07","0.07","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag N5 O3 S2 -","- C10 H16 Ag N5 O3 S2 -","- C20 H32 Ag2 N10 O6 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0373","0.0284","","","0.0532","0.058","","","","","","1.044","","","","has coordinates,has disorder","268643","2021-09-06","10:23:04",""
"7242959","13.1198","0.0003","13.1198","0.0003","4.686","0.0002","90","","90","","90","","806.6","0.04","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag Cl N4 O4 S2 -","- C10 H16 Ag Cl N4 O4 S2 -","- C20 H32 Ag2 Cl2 N8 O8 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0295","0.026","","","0.0639","0.0666","","","","","","1.038","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242960","12.6128","0.0003","13.1579","0.0003","16.1737","0.0003","90","","90","","90","","2684.15","0.1","293","2","293","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C72 H96 Ag6 Cl6 N48 O24 -","4","0.5","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0369","0.0303","","","0.0864","0.0951","","","","","","1.052","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242961","6.6706","0.0004","10.5894","0.0009","13.5484","0.0011","91.104","0.007","99.965","0.005","103.416","0.006","915.1","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ag N9 O4 -","- C12 H18 Ag N9 O4 -","- C24 H36 Ag2 N18 O8 -","2","1","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0528","0.0425","","","0.0978","0.1048","","","","","","1.096","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242971","10.7505","0.0004","10.132","0.0004","18.7022","0.0008","90","","103.122","0.004","90","","1983.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Amantadine ferulate isopropanol solvate","1-Adamantylammonium 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid propan-2-ol","","- C21.5 H31 N O4.5 -","- C21.5 H31 N O4.5 -","- C86 H124 N4 O18 -","4","1","","Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy","CrystEngComm","2021","23","24","4389","4401","10.1039/D1CE00382H","","","1.54184","CuKα","","0.0456","0.0396","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","267098","2021-07-05","17:03:56",""
"7242972","10.7535","0.0007","8.9587","0.0006","27.8995","0.0019","90","","96.321","0.001","90","","2671.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 N6 O6 -","- C33 H19 N6 O6 -","- C132 H76 N24 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.1367","0.0578","","","0.1396","0.1774","","","","","","0.995","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242973","8.9598","0.0005","21.9155","0.0011","9.5862","0.0005","90","","116.711","0.001","90","","1681.46","0.15","293","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I3 N O6 -","- C14 H7 I3 N O6 -","- C56 H28 I12 N4 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.039","0.0341","","","0.0843","0.0866","","","","","","1.076","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242974","14.811","0.006","9.023","0.004","24.11","0.01","90","","106.673","0.007","90","","3087","2","293","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 I2 N O6 -","- C14 H8 I2 N O6 -","- C112 H64 I16 N8 O48 -","8","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.0637","0.0375","","","0.0799","0.0891","","","","","","1.03","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242975","11.7416","0.0007","12.0658","0.001","15.0919","0.001","113.393","0.007","98.517","0.005","103.527","0.006","1837","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0829","0.0392","","","0.0804","0.0894","","","","","","0.846","","","","has coordinates,has disorder","268641","2021-09-06","10:22:32",""
"7242976","7.664","0.006","10.486","0.008","15.09","0.009","74.09","0.019","87.76","0.03","69.95","0.02","1093.5","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C38 H58 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.1965","0.1455","","","0.4064","0.4386","","","","","","1.045","","","","has coordinates","268641","2021-09-06","10:22:35",""
"7242977","13.4328","0.0006","16.8984","0.0008","9.2577","0.0004","90","","96.591","0.002","90","","2087.54","0.16","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C76 H116 F8 N12 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0499","0.0348","","","0.0999","0.1138","","","","","","0.987","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242978","9.295","0.005","14.527","0.005","11.722","0.005","90","","109.33","0.06","90","","1493.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","","- C26 H32 F6 N6 O6 -","- C26 F6 N6 O6 -","- C52 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","1.54184","CuKα","","0.4752","0.4081","","","0.7372","0.7727","","","","","","2.392","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242979","13.9801","0.0016","15.5918","0.0017","3.6651","0.0004","90","","90","","90","","798.9","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-diamino-3,5,6-trifluorobenzonitrile hydrate","","- C7 H4 F3 N3 O0.5 -","- C7 H4 F3 N3 O0.5 -","- C28 H16 F12 N12 O2 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0608","0.0455","","","0.1384","0.1564","","","","","","1.009","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242980","27.0089","0.0013","10.124","0.0005","17.2092","0.0007","90","","97.123","0.002","90","","4669.3","0.4","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,6-diamino-4-chloro-3-fluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 Cl F N3 O6 -","- C19 H29 Cl F N3 O6 -","- C152 H232 Cl8 F8 N24 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.118","0.0815","","","0.2553","0.2998","","","","","","0.953","","","","has coordinates,has disorder","268641","2021-09-06","10:22:41",""
"7242981","7.1619","0.0005","7.5769","0.0006","7.6716","0.0005","107.27","0.004","100.818","0.003","107.844","0.003","360.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile","","- C7 H5 F2 N3 -","- C7 H5 F2 N3 -","- C14 H10 F4 N6 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0609","0.0448","","","0.1338","0.1506","","","","","","1.087","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242982","7.3003","0.0011","9.7706","0.0014","16.622","0.002","89.928","0.005","89.964","0.005","75.875","0.004","1149.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2,6-diamino-4-chloro-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H28 Cl F2 N3 O6 -","- C19 H28 Cl F2 N3 O6 -","- C38 H56 Cl2 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0463","0.0355","","","0.078","0.0843","","","","","","0.972","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242983","6.1089","0.0002","9.6567","0.0005","15.8773","0.0006","87.008","0.004","88.263","0.003","88.159","0.003","934.49","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0659","0.0555","","","0.1551","0.1754","","","","","","1.011","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242984","7.5775","0.0009","7.9456","0.0008","16.2096","0.0013","103.927","0.008","96.226","0.008","104.186","0.01","903.71","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","0.71073","MoKα","","0.1124","0.0547","","","0.1284","0.1571","","","","","","0.998","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242985","10.0941","0.0002","10.1582","0.0002","10.8283","0.0003","63.183","0.002","70.379","0.002","80.704","0.002","933.3","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0466","0.042","","","0.1241","0.1289","","","","","","1.073","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242986","10.0975","0.0003","10.1452","0.0004","10.8422","0.0005","63.157","0.004","70.317","0.003","80.642","0.003","933.03","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1278","0.1359","","","","","","1.082","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242987","11.7117","0.0014","12.099","0.0013","11.7979","0.0013","90","","103.17","0.012","90","","1627.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Co1.2 Ni1.8 O10 -","- C16 H8 Co1.2 Ni1.8 O10 -","- C64 H32 Co4.8 Ni7.2 O40 -","4","1","","Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo","Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation","CrystEngComm","2021","23","26","4700","4707","10.1039/D1CE00350J","","x-ray","1.54184","CuKα","","0.1264","0.0866","","","0.2141","0.255","","","","","","1.001","","","","has coordinates,has disorder","268661","2021-09-06","10:26:32",""
"7242988","9.4088","0.0007","12.5525","0.0009","15.2532","0.0011","71.5265","0.0015","77.3805","0.0015","71.2592","0.0015","1604.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Br2 N O2 -","- C37 H31 Br2 N O2 -","- C74 H62 Br4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.0576","0.0489","","","0.1378","0.1451","","","","","","1.044","","","","has coordinates,has disorder","268683","2021-09-06","10:31:40",""
"7242989","10.864","0.004","12.004","0.004","14.739","0.005","99.378","0.01","91.705","0.01","91.595","0.01","1894.6","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 B I2 N O -","- C45 H32 B I2 N O -","- C90 H64 B2 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1126","0.0557","","","0.1352","0.1629","","","","","","1.024","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242990","6.0896","0.0004","9.3799","0.0006","24.4891","0.0015","84.352","0.002","86.909","0.002","87.232","0.002","1388.7","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B Cl2 F2 N O -","- C33 H22 B Cl2 F2 N O -","- C66 H44 B2 Cl4 F4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1301","0.0613","","","0.1016","0.1212","","","","","","1.018","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242991","6.2357","0.0003","9.7731","0.0004","24.6541","0.001","79.707","0.001","88.857","0.002","85.753","0.002","1474.2","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B F2 I2 N O -","- C33 H22 B F2 I2 N O -","- C66 H44 B2 F4 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.7288","synchrotron","","0.0343","0.0305","","","0.0604","0.0634","","","","","","1.151","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242992","9.33","0.003","12.726","0.003","15.427","0.003","72.271","0.01","76.816","0.012","70.156","0.01","1625.1","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 I2 N O2 -","- C36 H29 I2 N O2 -","- C72 H58 I4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","1.54178","CuKα","","0.0664","0.0495","","","0.1183","0.1304","","","","","","1.044","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242993","15.498","0.002","7.0467","0.001","9.0692","0.0015","90","","104.821","0.016","90","","957.5","0.3","190","0.1","190","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0974","0.0784","","","0.1941","0.2021","","","","","","1.142","","","","has coordinates,has disorder","267120","2021-07-05","17:10:10",""
"7242994","15.5861","0.0009","7.0608","0.0004","9.0691","0.0006","90","","105.198","0.007","90","","963.15","0.11","210.05","0.1","210.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0484","0.0385","","","0.1083","0.1145","","","","","","1.08","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242995","15.6639","0.0012","7.0936","0.0006","9.0904","0.0009","90","","105.663","0.009","90","","972.56","0.15","250.05","0.1","250.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0506","0.0369","","","0.1034","0.1118","","","","","","1.037","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242996","15.6931","0.0011","7.111","0.0005","9.0908","0.0008","90","","105.856","0.008","90","","975.88","0.14","270.06","0.1","270.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0528","0.0375","","","0.1057","0.1151","","","","","","1.038","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242997","15.6264","0.0011","7.0823","0.0005","9.0843","0.0007","90","","105.399","0.008","90","","969.27","0.13","230.06","0.1","230.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0482","0.037","","","0.1056","0.1129","","","","","","1.033","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242998","15.7226","0.0013","7.1311","0.0006","9.0875","0.001","90","","106.081","0.01","90","","979.02","0.17","290.06","0.11","290.06","0.11","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0565","0.0375","","","0.1061","0.1174","","","","","","1.026","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242999","5.6685","0.00005","7.45207","0.00006","23.56855","0.00019","90","","90","","90","","995.584","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0296","0.0289","","","0.0794","0.08","","","","","","1.08","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243000","5.7302","0.001","7.415","0.0011","23.579","0.003","90","","90","","90","","1001.9","0.3","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0672","0.0599","","","0.1639","0.1743","","","","","","1.078","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243001","5.67404","0.00005","7.47072","0.00006","23.5754","0.0002","90","","90","","90","","999.341","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0317","0.0306","","","0.0828","0.0838","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243002","5.8323","0.0008","7.3764","0.0007","23.496","0.003","90","","90","","90","","1010.8","0.2","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.1002","0.0825","","","0.2012","0.2313","","","","","","1.046","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243003","5.86556","0.00007","7.46244","0.00009","23.3965","0.0003","90","","90","","90","","1024.1","0.02","290","2","290.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0371","0.0332","","","0.0928","0.0962","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243004","5.85572","0.00006","7.39661","0.00007","23.4514","0.0002","90","","90","","90","","1015.74","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0309","0.0294","","","0.0786","0.0799","","","","","","1.046","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243005","5.8614","0.00006","7.42624","0.00008","23.428","0.0003","90","","90","","90","","1019.78","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0817","0.0842","","","","","","1.049","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243006","5.8501","0.00006","7.36978","0.00007","23.4676","0.0002","90","","90","","90","","1011.78","0.017","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0297","0.0282","","","0.075","0.0764","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243007","5.85038","0.00008","7.371","0.00011","23.4704","0.0003","90","","90","","90","","1012.12","0.02","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0284","0.0273","","","0.0728","0.0737","","","","","","1.082","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243008","5.83741","0.00005","7.3243","0.00006","23.48978","0.00019","90","","90","","90","","1004.3","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0283","0.0274","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243009","5.8556","0.0005","7.4394","0.0006","23.4466","0.0018","90","","90","","90","","1021.38","0.14","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0356","0.0319","","","0.087","0.089","","","","","","1.051","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243010","5.82153","0.00008","7.2732","0.00013","23.5087","0.0003","90","","90","","90","","995.39","0.03","130","2","129.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0752","0.076","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243011","5.84375","0.00005","7.34622","0.00006","23.48048","0.0002","90","","90","","90","","1008.01","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0734","0.0742","","","","","","1.073","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243012","5.7261","0.0001","7.5472","0.0001","23.5464","0.0004","90","","90","","90","","1017.58","0.03","290","2","289.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0346","0.0311","","","0.0859","0.0887","","","","","","1.056","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243013","5.81332","0.00008","7.24959","0.00014","23.5153","0.0004","90","","90","","90","","991.03","0.03","100","2","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0325","0.0314","","","0.0859","0.0869","","","","","","1.076","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243014","5.83819","0.00007","7.32399","0.00009","23.4915","0.0003","90","","90","","90","","1004.47","0.02","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0267","0.0258","","","0.0674","0.0679","","","","","","1.047","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243015","5.86137","0.00006","7.42616","0.00008","23.4265","0.0003","90","","90","","90","","1019.7","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0836","0.0861","","","","","","1.043","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243016","5.84449","0.00008","7.34651","0.0001","23.4842","0.0003","90","","90","","90","","1008.33","0.02","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0281","0.0269","","","0.0692","0.07","","","","","","1.055","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243017","5.85593","0.00008","7.39741","0.00011","23.4532","0.0003","90","","90","","90","","1015.96","0.02","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0292","0.0274","","","0.0718","0.0732","","","","","","1.081","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243018","5.83221","0.00008","7.30484","0.00011","23.5004","0.0003","90","","90","","90","","1001.2","0.02","170","2","169.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.028","0.027","","","0.0686","0.0693","","","","","","1.083","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243019","5.85561","0.00006","7.3967","0.00007","23.4494","0.0002","90","","90","","90","","1015.65","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0316","0.0299","","","0.0818","0.0834","","","","","","1.058","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243020","5.82676","0.00008","7.28832","0.00012","23.5058","0.0003","90","","90","","90","","998.23","0.02","150","2","149.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0279","0.027","","","0.0702","0.0708","","","","","","1.066","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243021","8.8064","0.0014","26.14","0.004","8.8642","0.0015","90","","94.291","0.005","90","","2034.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C64 H48 Cl8 Cu4 N8 O36 S4 -","2","0.5","","Thakur, Snehasish; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex","CrystEngComm","2021","23","29","5087","5096","10.1039/D1CE00624J","","","0.71073","MoKα","","0.0478","0.0431","","","0.1254","0.1303","","","","","","0.925","","","","has coordinates","268633","2021-09-06","10:18:59",""
"7243022","7.3163","0.0002","12.5322","0.0004","22.0934","0.0003","99.217","0.002","97.693","0.002","94.038","0.002","1972.82","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10.33 H7.33 Cl4 N2 O0.33 Pt -","- C10.3333 H7.33333 Cl4 N2 O0.333333 Pt -","- C62 H44 Cl24 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0991","0.105","","","","","","1.065","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243023","4.205","0.0001","15.1349","0.0004","11.8849","0.0004","90","","92.547","0.003","90","","755.63","0.04","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl4 N3 Pt -","- C12 H9 Cl4 N3 Pt -","- C24 H18 Cl8 N6 Pt2 -","2","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0635","0.0605","","","0.1702","0.1723","","","","","","1.093","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243024","17.5085","0.0002","6.8605","0.0001","14.2988","0.0002","90","","94.738","0.001","90","","1711.66","0.04","150","","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Br2 Cl2 N2 O Pt -","- C13 H12 Br2 Cl2 N2 O Pt -","- C52 H48 Br8 Cl8 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.1079","0.1093","","","","","","1.075","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243025","17.3962","0.0004","6.7242","0.0001","14.1075","0.0003","90","","93.761","0.002","90","","1646.68","0.06","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0816","0.0822","","","","","","1.125","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243026","7.4532","0.0001","12.7323","0.0002","22.1827","0.0003","99.629","0.001","98.186","0.001","94.794","0.001","2041.78","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10.33 H7.33 Br2 Cl2 N2 O0.33 Pt -","- C10.3333 H7.33333 Br2 Cl2 N2 O0.333333 Pt -","- C62 H44 Br12 Cl12 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0463","0.0395","","","0.1032","0.1086","","","","","","1.097","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243027","27.5455","0.0002","27.5455","0.0002","27.5455","0.0002","90","","90","","90","","20900.3","0.3","243.01","0.1","243.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H38 N40 O25 Zn8 -","- C5.5 H4.5 N5 O3.125 Zn -","- C132 H108 N120 O75 Zn24 -","24","0.5","","Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong","Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−","CrystEngComm","2021","23","28","4923","4929","10.1039/D1CE00610J","","x-ray","1.54178","CuKα","","0.1234","0.0976","","","0.303","0.3537","","","","","","1.095","","","","has coordinates","268636","2021-09-06","10:20:38",""
"7243028","11.749","0.003","8.961","0.002","25.585","0.006","90","","101.49","0.03","90","","2639.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl2 N5 O2 Zn -","- C25 H23 Cl2 N5 O2 Zn -","- C100 H92 Cl8 N20 O8 Zn4 -","4","0.5","","Wang, Yanru; Wang, Ani; Pan, Jie; Xue, Zhenzhen; Li, Jinhua; Wang, Guoming","Metal‒organic complex-derived 3D porous carbon-supported g-C3N4/TiO2 as photocatalysts for the efficient degradation of antibiotic","CrystEngComm","2021","23","26","4717","4723","10.1039/D1CE00709B","","","0.71073","MoKα","","0.0474","0.0366","","","0.0885","0.0953","","","","","","1.06","","","","has coordinates","268660","2021-09-06","10:26:26",""
"7243029","12.6615","0.0007","4.8528","0.0002","39.0056","0.0017","90","","98.502","0.004","90","","2370.31","0.19","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 F6 N2 S -","- C29 H16 F6 N2 S -","- C116 H64 F24 N8 S4 -","4","1","","Kumar, Avulu Vinod; Rohullah, Mehdi; Ravi, Jada; Godumala, Mallesham; Annadhasan, Mari; Chandrasekar, Rajadurai","Mechanophotonic aspects of a room temperature phosphorescent flexible organic microcrystal","CrystEngComm","2021","23","34","5774","5779","10.1039/D1CE00475A","","x-ray","0.71073","MoKα","","0.2165","0.0903","","","0.1965","0.3128","","","","","","1.027","","","","has coordinates,has disorder","268685","2021-09-06","10:31:55",""
"7243030","7.165","0.0004","12.9313","0.0008","13.5","0.0008","90","","90.8316","0.0018","90","","1250.68","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0289","0.0228","","","0.0499","0.0519","","","","","","1.058","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243031","3.8383","0.0002","22.1816","0.0009","14.0252","0.0006","90","","90","","90","","1194.1","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0286","0.0236","","","0.0511","0.0528","","","","","","1.106","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243032","13.0329","0.0007","12.4106","0.0006","14.8895","0.0008","90","","92.525","0.002","90","","2406","0.2","276","2","276","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl Cu N2 S2 -","- C11 H9 Cl Cu N2 S2 -","- C88 H72 Cl8 Cu8 N16 S16 -","8","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0413","0.0296","","","0.071","0.0781","","","","","","0.785","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243039","10.49993","0.00015","11.00975","0.00013","12.68737","0.00015","112.81","0.0011","91.4574","0.0011","109.916","0.0012","1249.96","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C62 H40 N8 S4 -","2","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0382","0.0357","","","0.1001","0.1022","","","","","","1.094","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243040","17.5816","0.0006","20.1048","0.0007","6.9531","0.0003","90","","95.208","0.004","90","","2447.6","0.16","223","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 S2 -","- C31 H17 N4 S2 -","- C124 H68 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","x-ray","1.54184","CuKα","","0.0609","0.0538","","","0.1617","0.1857","","","","","","1.117","","","","has coordinates,has disorder","268682","2021-09-06","10:31:32",""
"7243041","18.6467","0.0007","7.9281","0.0002","20.2852","0.0008","90","","114.132","0.005","90","","2736.7","0.2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C124 H80 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0525","0.0507","","","0.1457","0.1474","","","","","","1.036","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243042","14.016","0.0017","8.1673","0.001","14.8905","0.0019","90","","94.665","0.002","90","","1698.9","0.4","296","0.2","296","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0477","0.0388","","","0.0965","0.1026","","","","","","1.061","","","","has coordinates","268632","2021-09-06","10:18:50",""
"7243043","7.6654","0.0004","12.3371","0.0005","14.5545","0.0007","90","","96.846","0.004","90","","1366.59","0.11","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N2 O12 -","- C24 H22 Cl2 Cu N2 O12 -","- C48 H44 Cl4 Cu2 N4 O24 -","2","0.5","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0993","0.0543","","","0.1398","0.1813","","","","","","1.031","","","","has coordinates","268632","2021-09-06","10:18:52",""
"7243044","8.459","0.004","10.258","0.005","13.519","0.007","107.813","0.005","96.028","0.006","91.195","0.006","1108.9","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O -","- C31 H19 N2 O -","- C62 H38 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0708","0.0483","","","0.1319","0.1471","","","","","","1.035","","","","has coordinates,has disorder","268638","2021-09-06","10:21:29",""
"7243045","5.6736","0.0015","25.031","0.006","18.519","0.005","90","","105.22","0.007","90","","2537.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0727","0.05","","","0.1308","0.1482","","","","","","1.025","","","","has coordinates","268638","2021-09-06","10:21:32",""
"7243046","9.934","0.004","11.169","0.004","14.409","0.005","81.527","0.004","72.017","0.004","66.137","0.004","1390.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N2 O2 -","- C38 H24 N2 O2 -","- C76 H48 N4 O4 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0733","0.048","","","0.1332","0.151","","","","","","1.029","","","","has coordinates","268638","2021-09-06","10:21:37",""
"7243047","9.633","0.0006","25.6233","0.0011","10.1786","0.0006","90","","101.978","0.005","90","","2457.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 Mn3 N6 O12 -","- C52 H28 Mn3 N6 O12 -","- C104 H56 Mn6 N12 O24 -","2","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0909","0.0708","","","0.195","0.2117","","","","","","1.067","","","","has coordinates","268635","2021-09-06","10:20:11",""
"7243048","7.0276","0.0011","11.7785","0.0014","13.2567","0.0017","114.548","0.012","94.882","0.012","103.487","0.012","949.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1271","0.0795","","","0.2207","0.2572","","","","","","1.052","","","","has coordinates,has disorder","268635","2021-09-06","10:20:14",""
"7243049","9.6405","0.0009","10.1868","0.0008","12.8047","0.0012","76.922","0.007","70.96","0.009","78.692","0.007","1147.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0572","0.0413","","","0.0974","0.109","","","","","","0.88","","","","has coordinates","268635","2021-09-06","10:20:17",""
"7243050","8.0999","0.0003","27.363","0.001","20.2667","0.0008","90","","96.328","0.004","90","","4464.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Co3 N4 O24 -","- C40 H44 Co3 N4 O24 -","- C160 H176 Co12 N16 O96 -","4","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1086","0.0737","","","0.1849","0.2108","","","","","","1.048","","","","has coordinates","268635","2021-09-06","10:20:28",""
"7243051","16.9","0.002","5.571","0.0007","16.42","0.002","90","","96.441","0.004","90","","1536.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1999","0.0779","","","0.1928","0.3051","","","","","","1.091","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243052","9.7595","0.0005","7.9919","0.0003","36.1641","0.0016","90","","91.478","0.0018","90","","2819.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_1,2,4,5-tetracyanobenzene","","- C37 H17 N6 -","- C37 H17 N6 -","- C148 H68 N24 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1199","0.0668","","","0.1336","0.1608","","","","","","1.066","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243053","6.8012","0.0004","24.7708","0.0015","14.5619","0.0009","90","","101.513","0.002","90","","2403.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_octafluoronaphthalene","","- C32 H14 F8 -","- C32 H14 F8 -","- C128 H56 F32 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1417","0.0784","","","0.1464","0.176","","","","","","1.074","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243056","12.8677","0.0014","9.6306","0.001","16.3003","0.0016","90","","92.7196","0.0008","90","","2017.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_25deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6437","","","","","","","has coordinates","268639","2021-09-06","10:22:03",""
"7243057","13.0245","0.0019","9.6841","0.0014","16.368","0.002","90","","92.7266","0.0009","90","","2062.2","0.5","418","","418","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_120deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.1475","","","","","","","has coordinates","268639","2021-09-06","10:22:09",""
"7243058","5.778","0.003","13.713","0.007","16.811","0.008","81.532","0.019","81.28","0.02","86.7","0.02","1301.4","1.1","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C17 H10 O4 S2 -","- C17 H10 O4 S2 -","- C34 H20 O8 S4 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","x-ray","0.71073","MoKα","","0.181","0.142","","","0.4046","0.4283","","","","","","1.395","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243059","8.4537","0.0017","14.128","0.003","18.021","0.004","106.291","0.009","97.991","0.009","103.267","0.01","1962.5","0.7","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.2914","0.1694","","","0.4085","0.4897","","","","","","1.442","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243060","8.301","0.007","18.954","0.018","20.558","0.015","114.88","0.05","96.22","0.06","95.19","0.07","2884","4","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-78","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.28","0.196","","","0.493","0.554","","","","","","1.882","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7243061","57.3567","0.001","57.3567","0.001","29.225","0.0005","90","","90","","90","","96144","3","123","","123.15","","","","","","","","","5","I 41","I 4bw","80","","Rb@18-crown","","- C262.38 H275.18 N18 O85.27 Rb3.98 -","- C262.376 H275.172 N18 O85.263 Rb3.982 -","- C2099.01 H2201.38 N144 O682.104 Rb31.856 -","8","1","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams","CrystEngComm","2021","23","29","5053","5059","10.1039/D1CE00628B","","","1.54187","CuKα","","0.1059","0.0494","","","0.1363","0.1806","","","","","","0.92","","","","has coordinates,has disorder","268634","2021-09-06","10:19:55",""
"7243068","8.4828","0.0016","12.528","0.002","6.6496","0.0011","90","","92.535","0.016","90","","706","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(butane-1,4-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,4-dimer","","- C14 H16 N2 O6 -","- C7 H8 N O3 -","- C28 H32 N4 O12 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.1162","0.0954","","","0.2552","0.2825","","","","","","1.056","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243069","11.8489","0.0004","15.6629","0.0004","11.8621","0.0003","90","","93.465","0.002","90","","2197.44","0.11","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-hydroxycyclobut-3-ene-1,2-dione)","Sq-12-dimer-hydrate","","- C10 H9 N2 O7 -","- C10 H9 N2 O7 -","- C80 H72 N16 O56 -","8","2","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0615","0.0453","","","0.1171","0.1251","","","","","","1.069","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7243070","7.8262","0.0003","9.1203","0.0004","10.2647","0.0004","79.094","0.004","86.345","0.003","79.409","0.003","706.86","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(ethane-1,2-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-methyldimer","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0572","0.0492","","","0.1304","0.1365","","","","","","1.036","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243071","9.8568","0.0001","10.1633","0.0001","12.2811","0.0001","90","","101.617","0.001","90","","1205.09","0.02","122.99","0.1","122.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-dimer","","- C12 H12 N2 O6 -","- C9.6 H9.6 N1.6 O4.8 -","- C48 H48 N8 O24 -","5","0.625","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","1.54184","CuKα","","0.033","0.0325","","","0.0872","0.0875","","","","","","1.057","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243072","8.4804","0.0005","13.0556","0.0008","13.3103","0.001","84.028","0.006","86.103","0.006","89.868","0.005","1462.27","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(propane-1,3-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,3-methyldimer","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","2","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","","0.71073","MoKα","","0.1433","0.0795","","","0.1752","0.222","","","","","","1.03","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243073","7.4436","0.0003","10.1464","0.0005","11.1808","0.0004","89.53","0.001","74.805","0.001","86.082","0.002","812.97","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H17 N23 O -","- C4 H17 N23 O -","- C8 H34 N46 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0578","0.0397","","","0.0959","0.1049","","","","","","1.031","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243074","7.3804","0.0003","11.4595","0.0005","11.8445","0.0005","64.029","0.001","81.549","0.002","89.905","0.001","888.6","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H19 N21 O6 -","- C4 H19 N21 O6 -","- C8 H38 N42 O12 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0549","0.0397","","","0.0978","0.1049","","","","","","1.049","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243075","9.5686","0.0011","9.5808","0.001","9.5851","0.0011","81.051","0.003","81.699","0.003","60.468","0.003","752.9","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 N19 Na O -","- C4 H10 N19 Na O -","- C8 H20 N38 Na2 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0683","0.0443","","","0.1108","0.123","","","","","","1.048","","","","has coordinates,has disorder","268669","2021-09-06","10:28:30",""
"7243076","13.226","0.002","10.403","0.002","7.7069","0.0015","90","","117.138","0.005","90","","943.7","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H15 N17 O2 S2 -","- C8 H15 N17 O2 S2 -","- C16 H30 N34 O4 S4 -","2","0.5","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0343","0.0311","","","0.0804","0.0822","","","","","","1.081","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243077","7.2417","0.0006","10.6666","0.0007","11.9926","0.0009","77.757","0.002","85.569","0.002","80.379","0.002","891.72","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N17 Na O3 -","- C7 H14 N17 Na O3 -","- C14 H28 N34 Na2 O6 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0704","0.0451","","","0.1137","0.1267","","","","","","1.02","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243078","7.234","0.0013","10.5985","0.0019","13.966","0.003","70.681","0.005","89.167","0.006","71.541","0.005","953.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H18 N26 -","- C7 H18 N26 -","- C14 H36 N52 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0554","0.0406","","","0.0971","0.1047","","","","","","1.03","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243084","11.443","0.003","25.579","0.005","5.1731","0.0009","90","","90","","90","","1514.2","0.6","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.116","0.0693","","","0.1567","0.1811","","","","","","1.0407","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243085","11.54","0.005","5.32","0.002","22.8","0.011","90","","100.001","0.012","90","","1378.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0774","0.0481","","","0.1044","0.1154","","","","","","1.0617","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243086","5.6676","0.0003","10.5227","0.0005","12.1824","0.0006","93.86","0.002","94.947","0.002","98.214","0.002","714.07","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C28 H26 N6 O8 S2 -","2","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0358","0.0329","","","0.1056","0.1106","","","","","","0.9873","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243087","20.0412","0.0009","10.228","0.0005","15.0199","0.0007","90","","102.816","0.003","90","","3002.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C112 H104 N24 O32 S8 -","8","2","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0788","0.048","","","0.0999","0.1133","","","","","","1.0714","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243093","10.1573","0.001","12.9967","0.0012","17.941","0.0017","106.658","0.003","94.168","0.003","92.148","0.003","2258.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Co2 N14 O14 -","- C48 H30 Co2 N14 O14 -","- C96 H60 Co4 N28 O28 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.1019","0.0511","","","0.0859","0.1014","","","","","","1.021","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243094","6.0668","0.0004","25.6268","0.0015","19.263","0.0012","90","","93.306","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd N6 O9 S -","- C30 H24 Cd N6 O9 S -","- C120 H96 Cd4 N24 O36 S4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0546","0.045","","","0.0976","0.1011","","","","","","1.202","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243095","10.2125","0.0013","11.4153","0.0015","15.21","0.002","95.508","0.004","102.091","0.004","104.351","0.003","1659.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.25 H27.25 N6.25 O8.25 Zn -","- C31.25 H25.25 N6.25 O8.25 Zn -","- C62.5 H50.5 N12.5 O16.5 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.092","0.0643","","","0.1746","0.1989","","","","","","1.005","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243096","27.066","0.007","8","0.002","23.551","0.005","90","","109.498","0.007","90","","4807","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O6 -","- C24 H24 Cd N6 O6 -","- C192 H192 Cd8 N48 O48 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0295","0.0253","","","0.0571","0.0591","","","","","","1.072","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243097","16.038","0.007","8.955","0.004","17.558","0.007","90","","111.217","0.011","90","","2350.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N7 O6 Zn -","- C25 H17 N7 O6 Zn -","- C100 H68 N28 O24 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0856","0.0509","","","0.0906","0.1019","","","","","","1.042","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243098","7.2333","0.0005","9.681","0.0007","17.5939","0.0012","98.331","0.002","98.781","0.002","103.468","0.002","1163.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N7 O8 Zn -","- C24 H17 N7 O8 Zn -","- C48 H34 N14 O16 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0489","0.0368","","","0.0893","0.0962","","","","","","1.034","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243099","7.8677","0.0011","25.794","0.004","16.371","0.003","90","","95.172","0.004","90","","3308.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cd2 N6 O10 -","- C34 H26 Cd2 N6 O10 -","- C136 H104 Cd8 N24 O40 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0216","0.0184","","","0.0433","0.0448","","","","","","1.044","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243100","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- B12 H13 K O25 -","- B12 H12.9996 K O25 -","- B48 H51.9984 K4 O100 -","4","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0578","0.0502","","","0.135","0.1405","","","","","","1.068","","","","has coordinates,has disorder","268664","2021-09-06","10:27:31",""
"7243101","7.027","0.002","8.039","0.002","11.442","0.004","108.567","0.01","93.633","0.011","90.442","0.011","611.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B6 Cs Ga H3 Na O13 -","- B6 Cs Ga H3 Na O13 -","- B12 Cs2 Ga2 H6 Na2 O26 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.069","0.0439","","","0.0898","0.1","","","","","","1.027","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243102","6.686","0.005","8.082","0.006","10.485","0.008","90","","97.192","0.018","90","","562.1","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 B5 Ga N2 O10 -","- C2 H10 B5 Ga N2 O10 -","- C4 H20 B10 Ga2 N4 O20 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0677","0.0554","","","0.1212","0.1299","","","","","","1.054","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243103","11.9101","0.0005","14.8958","0.0006","16.5644","0.0007","106.243","0.001","109.77","0.001","96.022","0.001","2589.55","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 N8 O14 S2 Zn2 -","- C52 H44 N8 O14 S2 Zn2 -","- C104 H88 N16 O28 S4 Zn4 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","","0.71073","MoKα","","0.0686","0.0419","","","0.0963","0.1077","","","","","","1.018","","","","has coordinates,has disorder","268644","2021-09-06","10:23:12",""
"7243104","10.0385","0.001","11.1557","0.0012","12.4792","0.0013","79.339","0.002","80.212","0.002","68.539","0.002","1270.1","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N4 O6 S Zn -","- C27 H22 N4 O6 S Zn -","- C54 H44 N8 O12 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0597","0.0409","","","0.0948","0.103","","","","","","1.021","","","","has coordinates,has disorder","268644","2021-09-06","10:23:13",""
"7243105","9.8851","0.0008","10.896","0.0008","12.2041","0.001","82.082","0.002","80.528","0.002","68.643","0.002","1203.18","0.17","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N4 O7 S Zn -","- C26 H20 N4 O7 S Zn -","- C52 H40 N8 O14 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0406","","","0.0746","0.0842","","","","","","1.004","","","","has coordinates","268644","2021-09-06","10:23:13",""
"7243110","7.4211","0.0004","6.5606","0.0004","5.1633","0.0003","83.817","0.002","110.727","0.002","123.412","0.002","195.03","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","1","0.5","","Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier","Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph","CrystEngComm","2021","23","29","5124","5130","10.1039/D1CE00802A","powder diffraction","x-ray","1.54187","CuKα","","0.0383","0.0383","","0.0483","0.0483","","","","3.53","","","","","","","has coordinates","268631","2021-09-06","10:18:36",""
"7243111","9.4495","0.0003","11.2688","0.0003","18.2721","0.0006","73.315","0.001","82.268","0.001","74.353","0.001","1791.27","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl N2 -","- C47 H33 Cl N2 -","- C94 H66 Cl2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.0603","0.0511","","","0.1242","0.1303","","","","","","1.046","","","","has coordinates","268670","2021-09-06","10:28:44",""
"7243112","9.397","0.0014","10.5684","0.0015","19.829","0.003","100.913","0.003","91.886","0.004","113.365","0.003","1762.3","0.5","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N2 -","- C47 H34 N2 -","- C94 H68 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.2186","0.0801","","","0.1794","0.2475","","","","","","0.967","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243113","9.3263","0.001","10.8791","0.0012","19.822","0.002","98.441","0.004","94.465","0.003","114.358","0.003","1790.8","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 F N2 -","- C47 H33 F N2 -","- C94 H66 F2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.172","0.1461","","","0.4138","0.4278","","","","","","1.085","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243114","29.6992","0.0015","14.6641","0.0004","25.7385","0.0009","90","","108.808","0.005","90","","10610.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0456","0.0383","","","0.087","0.0912","","","","","","0.989","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243115","29.771","0.006","14.658","0.003","25.708","0.005","90","","108.927","0.004","90","","10612","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0574","0.0556","","","0.1535","0.1581","","","","","","1.033","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243116","21.53","0.02","10.926","0.01","18.35","0.016","90","","90","","90","","4317","7","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","0.71073","MoKα","","0.1948","0.0717","","","0.1495","0.1953","","","","","","0.979","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243117","21.3258","0.0011","10.8147","0.0003","17.9497","0.0008","90","","90","","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","1.54184","CuKα","","0.0897","0.0741","","","0.1861","0.2034","","","","","","1.056","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243125","5.1833","0.0004","23.147","0.002","6.8285","0.0007","90","","107.681","0.01","90","","780.57","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N4 O2 -","- C8 H4 Cu N4 O2 -","- C32 H16 Cu4 N16 O8 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0496","0.0346","","","0.0749","0.0824","","","","","","1.037","","","","has coordinates","268650","2021-09-06","10:24:28",""
"7243126","6.8724","0.0004","8.5555","0.0006","10.8947","0.0007","103.025","0.005","102.889","0.005","111.241","0.006","547.97","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N4 O4 Zn1.5 -","- C8 H8 Cl N4 O4 Zn1.5 -","- C16 H16 Cl2 N8 O8 Zn3 -","2","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.05","0.034","","","0.0729","0.0809","","","","","","1.062","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243127","8.5821","0.001","13.578","0.0011","9.2842","0.0011","90","","116.067","0.015","90","","971.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 Ni O4 -","- C8 H7 N4 Ni O4 -","- C32 H28 N16 Ni4 O16 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0425","0.0322","","","0.0712","0.0761","","","","","","1.033","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243128","13.8772","0.0007","9.5629","0.0005","7.5481","0.0004","90","","94.152","0.006","90","","999.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N4 O2 Pb -","- C8 H4 Cl N4 O2 Pb -","- C32 H16 Cl4 N16 O8 Pb4 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71","MoKα","","0.0431","0.0315","","","0.0689","0.0755","","","","","","1.082","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243129","20.5149","0.0008","16.0901","0.0012","15.5524","0.0005","90","","90","","90","","5133.6","0.5","296.3","0.9","296.3","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H16 Co0.67 N2 O6 -","- C16 H16 Co0.666667 N2 O6 -","- C192 H192 Co8 N24 O72 -","12","0.75","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1258","0.0598","","","0.1331","0.1626","","","","","","1","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243130","17.034","0.0005","11.4043","0.0003","12.6992","0.0003","90","","90","","90","","2466.96","0.11","299","0.2","299","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 N3 O7 Zn2 -","- C23 H22 N3 O7 Zn2 -","- C92 H88 N12 O28 Zn8 -","4","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0506","0.0309","","","0.079","0.0944","","","","","","0.852","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243131","11.3588","0.0007","30.0187","0.001","12.2991","0.0008","90","","117.471","0.008","90","","3720.8","0.4","297.1","0.8","297.1","0.8","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14.5 H11.5 N1.5 Ni0.75 O6.62 -","- C14.5 H11.5 N1.5 Ni0.75 O6.625 -","- C116 H92 N12 Ni6 O53 -","8","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1073","0.084","","","0.247","0.2646","","","","","","1.005","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243132","20.5127","0.0006","16.0761","0.0005","15.2569","0.0005","90","","90","","90","","5031.2","0.3","298","0.1","298","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C46 H38 N6 Ni2 O18 -","- C45.9998 H38 N6 Ni2 O18 -","- C183.999 H152 N24 Ni8 O72 -","4","0.25","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0746","0.0538","","","0.1995","0.2447","","","","","","0.99","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243133","10.4617","0.001","14.6431","0.001","12.7995","0.0009","90","","97.576","0.007","90","","1943.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Fe3 N4 O12 -","- C36 H24 Fe3 N2 O18 -","- C72 H48 Fe6 N4 O36 -","2","0.5","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.2008","0.0745","","","0.1098","0.1552","","","","","","0.875","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243134","6.1846","0.0002","27.8403","0.0008","7.4558","0.0002","90","","109.007","0.003","90","","1213.76","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","GABA-L-tartaric acid (1:1) monohydrate","GABA-L-tartaric acid (1:1) monohydrate","","- C8 H17 N O9 -","- C8 H17 N O9 -","- C32 H68 N4 O36 -","4","2","","Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V.","A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water","CrystEngComm","2021","23","35","6086","6092","10.1039/D1CE00470K","","x-ray","0.71073","MoKα","","0.0629","0.0477","","","0.0937","0.1002","","","","","","1.024","","","","has coordinates,has disorder","269687","2021-10-06","14:54:03",""
"7243135","11.388","0.003","12.621","0.003","14.493","0.004","100.52","0.005","109.121","0.005","97.132","0.005","1896.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Ag2 N7 O8.5 -","- C28 H19 Ag2 N5 O6 -","- C56 H38 Ag4 N10 O12 -","2","1","","Jiang, Wei; Lv, Mengying; Gao, Baihui; Liu, Bo; Yan, Guosong; Zhou, Shi; Liu, Chunbo; Xie, Wei; Che, Guangbo","Facile construction of an Ag0-doped Ag(i)-based coordination polymer via a self-photoreduction strategy for enhanced visible light driven photocatalysis","CrystEngComm","2021","23","31","5397","5402","10.1039/D1CE00699A","","","0.71073","MoKα","","0.1081","0.0518","","","0.1002","0.1149","","","","","","0.847","","","","has coordinates","268667","2021-09-06","10:28:07",""
"7243136","16.206","0.002","13.665","0.002","19.848","0.003","90","","105.603","0.004","90","","4233.5","1","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C72 H128 Cu12 Mo24 N40 O124 Te4 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0327","0.0258","","","0.0656","0.0686","","","","","","1.036","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243137","10.4645","0.0007","14.6884","0.001","13.0321","0.0009","90","","95.1","0.001","90","","1995.2","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C24 H88 Cu4 Mo12 N16 O60 Te2 -","2","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0285","0.0256","","","0.0644","0.0655","","","","","","1.198","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243138","12.79","0.002","21.231","0.002","19.024","0.002","90","","97.734","0.003","90","","5118.9","1.1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Cu4 Mo16 N24 O54 -","- C52 H72 Cu4 Mo16 N24 O54 -","- C104 H144 Cu8 Mo32 N48 O108 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.117","0.0809","","","0.1632","0.1851","","","","","","1.034","","","","has coordinates,has disorder","268673","2021-09-06","10:29:30",""
"7243139","10.7719","0.0006","18.3338","0.001","12.7561","0.0007","90","","113.685","0.001","90","","2307","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu Mo4 N4 O15 -","- C13 H16 Cu Mo4 N4 O15 -","- C52 H64 Cu4 Mo16 N16 O60 -","4","1","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.072","0.037","","","0.0655","0.0753","","","","","","0.972","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243140","11.1044","0.0014","11.8366","0.0015","13.6033","0.0017","77.836","0.002","72.274","0.002","85.532","0.002","1664.7","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","1","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0589","0.0361","","","0.0785","0.0877","","","","","","1.017","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243143","10.188","0.004","11.162","0.004","19.431","0.007","86.926","0.009","77.759","0.009","88.866","0.01","2156.2","1.4","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.55 F6 Fe N O8 P0.45 -","- C43 H54 As0.555 F6 Fe N O8 P0.445 -","- C86 H108 As1.11 F12 Fe2 N2 O16 P0.89 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1067","","","","0.3538","","","","","","1.337","","","","has coordinates","268679","2021-09-06","10:30:50",""
"7243144","10.1785","0.0005","11.0668","0.001","19.4314","0.0009","86.883","0.009","77.412","0.007","88.969","0.01","2133","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0628","","","","0.1987","","","","","","0.954","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243145","10.204","0.002","11.089","0.003","19.442","0.004","86.955","0.006","77.616","0.004","88.875","0.006","2145.6","0.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.49 F6 Fe N O8 P0.51 -","- C43 H54 As0.488 F6 Fe N O8 P0.512 -","- C86 H108 As0.976 F12 Fe2 N2 O16 P1.024 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1134","","","","0.3708","","","","","","1.343","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243146","10.175","0.005","11.163","0.006","19.424","0.008","86.799","0.013","77.778","0.013","88.65","0.02","2152.7","1.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C86 H108 As1.34 F12 Fe2 N2 O16 P0.66 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1076","","","","0.3508","","","","","","1.237","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243147","10.203","0.003","11.091","0.003","19.44","0.005","86.95","0.006","77.515","0.005","88.98","0.006","2144.8","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.92 Sb0.08 -","- C43 H54 F6 Fe N O8 P0.916 Sb0.084 -","- C86 H108 F12 Fe2 N2 O16 P1.832 Sb0.168 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1175","","","","0.3812","","","","","","1.457","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243148","10.163","0.003","11.824","0.004","17.902","0.005","85.765","0.007","86.936","0.006","87.915","0.007","2141.2","1.1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C86 H108 F12 Fe2 N2 O16 P0.7 Sb1.3 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0979","","","","0.2659","","","","","","1.06","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243149","10.194","0.003","11.112","0.003","19.439","0.005","86.85","0.006","77.726","0.006","88.805","0.007","2148.3","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.36 F6 Fe N O8 P0.64 -","- C43 H54 As0.358 F6 Fe N O8 P0.642 -","- C86 H108 As0.716 F12 Fe2 N2 O16 P1.284 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0808","","","","0.2747","","","","","","1.056","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243150","10.171","0.0017","11.182","0.002","19.436","0.004","86.772","0.005","77.689","0.005","88.611","0.005","2156.1","0.7","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.72 F6 Fe N O8 P0.28 -","- C43 H54 As0.724 F6 Fe N O8 P0.276 -","- C86 H108 As1.448 F12 Fe2 N2 O16 P0.552 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0946","","","","0.275","","","","","","1.076","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243151","10.17","0.003","11.106","0.004","19.439","0.006","86.836","0.009","77.378","0.006","88.73","0.009","2139.2","1.2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C86 H108 F12 Fe2 N2 O16 P1.68 Sb0.32 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0909","","","","0.278","","","","","","1.47","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243152","21.497","0.005","9.893","0.002","22.324","0.005","90","","116.199","0.002","90","","4259.9","1.6","93.15","","93.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C172 H216 F24 Fe4 N4 O32 P4 -","4","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.71073","MoKα","","0.1267","0.0762","","","0.1466","0.1637","","","","","","1.092","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243153","10.139","0.0018","11.679","0.002","17.971","0.003","85.655","0.004","87.434","0.004","88.542","0.005","2119.2","0.6","113.35","","113.35","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.484 Sb0.516 -","- C43 H54 F6 Fe N O8 P0.48436 Sb0.51564 -","- C86 H108 F12 Fe2 N2 O16 P0.96872 Sb1.03128 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","0.0645","0.0548","","","0.1452","0.1637","","","","","","1.0287","","","","has coordinates,has disorder","268679","2021-09-06","10:30:53",""
"7243154","9.4922","0.0002","39.4939","0.0009","9.7199","0.0003","90","","110.321","0.001","90","","3417.05","0.15","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","1","0.25","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0875","0.0535","","","0.1141","0.1346","","","","","","1.054","","","","has coordinates","268653","2021-09-06","10:25:22",""
"7243155","9.311","0.0009","10.2559","0.0009","14.891","0.0014","105.346","0.003","94.24","0.003","115.645","0.003","1206.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N4 O5 -","- C26 H20 Mn N4 O5 -","- C52 H40 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0798","0.0517","","","0.1131","0.1402","","","","","","1.045","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243156","10.0622","0.0005","10.432","0.0005","11.9877","0.0006","67.814","0.002","71.39","0.002","68.516","0.001","1060.07","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","1","0.5","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0599","0.0402","","","0.0865","0.1018","","","","","","1.057","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243157","9.2544","0.0005","10.3343","0.0006","14.8355","0.0008","105.384","0.002","93.551","0.002","116.082","0.002","1202.28","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Mn N4 O5 -","- C27 H22 Mn N4 O5 -","- C54 H44 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0826","0.0537","","","0.1211","0.143","","","","","","1.058","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243158","13.1164","0.0004","16.1174","0.0005","14.7873","0.0005","90","","109.782","0.001","90","","2941.59","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 Ni O5 -","- C23 H15 N3 Ni O5 -","- C92 H60 N12 Ni4 O20 -","4","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0914","0.0625","","","0.1566","0.1724","","","","","","1.081","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243182","9.1218","0.0004","17.4862","0.0008","9.4704","0.0004","90","","91.7907","0.0017","90","","1509.84","0.11","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Cerium Thiophosphate","","- Ce Na0.5 P2 Rb2.5 S8 -","- Ce Na0.499 P2 Rb2.501 S8 -","- Ce4 Na1.996 P8 Rb10.004 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0837","0.0563","","","0.1174","0.1267","","","","","","1.129","","","","has coordinates","268665","2021-09-06","10:27:44",""
"7243183","9.057","0.0003","17.3059","0.0006","9.4252","0.0003","90","","91.8396","0.0013","90","","1476.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Praseodymium Thiophosphate","","- Na0.55 P2 Pr Rb2.45 S8 -","- Na0.551 P2 Pr Rb2.449 S8 -","- Na2.204 P8 Pr4 Rb9.796 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0471","0.0503","","","","","","1.093","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243184","9.8512","0.0006","6.753","0.0004","11.4321","0.0007","90","","90.241","0.002","90","","760.52","0.08","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Cerium Thiophosphate","","- Ce P2 Rb3 S8 -","- Ce P2 Rb3 S8 -","- Ce2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0302","0.0262","","","0.0503","0.0515","","","","","","1.157","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243185","17.3308","0.0004","6.6787","0.0002","6.4347","0.0001","90","","90","","90","","744.8","0.03","301","2","301","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu P Rb S4 -","- Eu P Rb S4 -","- Eu4 P4 Rb4 S16 -","4","0.5","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0263","0.0247","","","0.0638","0.0647","","","","","","1.171","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243186","9.9053","0.0009","6.7376","0.0006","11.4553","0.001","90","","90.005","0.003","90","","764.5","0.12","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Lanthanum Thiophosphate","","- La P2 Rb3 S8 -","- La P2 Rb3 S8 -","- La2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0541","0.0493","","","0.0951","0.0983","","","","","","1.099","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243187","9.8265","0.0003","6.7613","0.0002","11.4228","0.0004","90","","90.2997","0.0012","90","","758.92","0.04","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Praseodymium Thiophosphate","","- P2 Pr Rb3 S8 -","- P2 Pr Rb3 S8 -","- P4 Pr2 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0373","0.0329","","","0.0527","0.0541","","","","","","1.181","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243188","7.1682","0.0007","8.2406","0.0009","29.792","0.003","90","","92.704","0.008","90","","1757.9","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N6 -","- C44 H24 F8 N6 -","- C88 H48 F16 N12 -","2","0.5","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","x-ray","0.71073","MoKα","","0.0618","0.0436","","","0.0887","0.101","","","","","","1.051","","","","has coordinates","268675","2021-09-06","10:29:49",""
"7243189","15.694","0.005","7.226","0.002","17.313","0.005","90","","95.538","0.007","90","","1954.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N5 -","- C24 H14 N5 -","- C96 H56 N20 -","4","1","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","","0.71073","MoKα","","0.0887","0.0477","","","0.1191","0.1441","","","","","","1.066","","","","has coordinates","268675","2021-09-06","10:29:50",""
"7243193","7.938","0.0002","13.3534","0.0002","14.1943","0.0002","112.959","0.002","92.287","0.002","96.766","0.001","1369.67","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O5 S -","- C30 H32 N4 O5 S -","- C60 H64 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0536","0.0517","","","0.1416","0.1438","","","","","","1.09","","","","has coordinates","268652","2021-09-06","10:24:43",""
"7243194","7.8512","0.0001","13.6163","0.0002","14.6035","0.0002","62.989","0.001","82.242","0.001","79.912","0.001","1366.64","0.03","275","4","275","4","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C62 H52 N8 O6 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0606","0.0573","","","0.1629","0.1673","","","","","","1.084","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243195","8.1582","0.0003","13.1348","0.0004","13.1911","0.0004","102.579","0.003","105.605","0.003","93.678","0.003","1317.35","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 S -","- C28 H24 N4 O7 S -","- C56 H48 N8 O14 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0509","0.0468","","","0.1258","0.1283","","","","","","1.074","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243196","3.6879","0.0008","11.923","0.002","9.13","0.0018","90","","97.392","0.019","90","","398.12","0.14","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C16 H10 Cl6 O2 -","2","1","","Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya","A plastically bendable and polar organic crystal","CrystEngComm","2021","23","33","5560","5563","10.1039/D1CE00724F","","x-ray","0.71073","MoKα","","0.0427","0.0414","","","0.1016","0.1022","","","","","","1.044","","","","has coordinates","268655","2021-09-06","10:25:45",""
"7243198","15.125","0.002","11.8601","0.0016","21.373","0.003","90","","100.169","0.003","90","","3773.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H102 Cl6 O4 -","- C88 H102 Cl6 O4 -","- C176 H204 Cl12 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0882","0.0803","","","0.2208","0.2338","","","","","","1.109","","","","has coordinates,has disorder","268630","2021-09-06","10:15:02",""
"7243199","14.0848","0.0008","13.6156","0.0008","15.0281","0.0009","90","","92.682","0.002","90","","2878.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H73 Cl3 O4 -","- C75 H73 Cl3 O4 -","- C150 H146 Cl6 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.066","0.0571","","","0.1669","0.1784","","","","","","1.094","","","","has coordinates,has disorder","268630","2021-09-06","10:15:03",""
"7243200","12.6452","0.0017","29.23","0.004","7.4103","0.001","90","","98.251","0.006","90","","2710.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0602","0.0529","","","0.15","0.1565","","","","","","1.038","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243201","10.238","0.0006","11.9538","0.0007","14.5269","0.0009","100.417","0.003","103.463","0.003","93.348","0.003","1691.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","1","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0876","0.078","","","0.2327","0.2404","","","","","","1.091","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243202","7.7495","0.0002","33.5689","0.0008","39.6305","0.0009","68.5122","0.0014","88.362","0.0015","84.7067","0.0016","9551.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","M1015F18","","","- C42 H50 N4 S2 -","- C42 H50 N4 S2 -","- C420 H500 N40 S20 -","10","5","","Echeverri, Marcelo; Ruiz, Constanza; Gómez-Lor, Berta","A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative","CrystEngComm","2021","23","34","5925","5930","10.1039/D1CE00462J","","","0.71073","MoKα","","0.2474","0.0771","","","0.1569","0.2341","","","","","","0.955","","","","has coordinates","268691","2021-09-06","10:33:05",""
"7243241","25.237","0.006","19.307","0.004","15.041","0.003","90","","107.575","0.007","90","","6987","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 N3 O9 Zn2 -","- C40 H24 N3 O9 Zn2 -","- C320 H192 N24 O72 Zn16 -","8","1","","Chuang, Po-Min; Wu, Jing-Yun","A highly stable Zn coordination polymer exhibiting pH-dependent fluorescence and as a visually ratiometric and on‒off fluorescent sensor","CrystEngComm","2021","23","30","5226","5240","10.1039/D1CE00705J","","","0.71073","MoKα","","0.1413","0.0992","","","0.2651","0.2911","","","","","","1.09","","","","has coordinates","268628","2021-09-06","10:12:32",""
"7243242","6.82","0.0003","8.8363","0.0003","26.14","0.0011","90","","90","","90","","1575.29","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(S)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.0536","0.0393","","","0.0738","0.0772","","","","","","0.99","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243243","9.637","0.0002","25.3851","0.0006","13.5859","0.0003","90","","90.277","0.006","90","","3323.56","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.1228","0.107","","","0.2808","0.301","","","","","","1.023","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243244","10.464","0.0006","10.4673","0.0007","29.8915","0.0016","90","","96.843","0.003","90","","3250.7","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-4-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(4-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.0974","0.0908","","","0.1842","0.1879","","","","","","1.136","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243245","6.7938","0.0003","8.6704","0.0003","27.7144","0.0009","90","","90","","90","","1632.52","0.11","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-(1-cyclohexylethyl)ammonium (R)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (R)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.1422","0.0931","","","0.1968","0.2515","","","","","","1.13","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243246","24.2266","0.0008","10.0661","0.0008","13.3665","0.0008","90","","92.533","0.001","90","","3256.5","0.3","119","2","119","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","2","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.0526","0.0468","","","0.107","0.11","","","","","","1.08","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243247","9.0572","0.0009","29.711","0.003","12.6381","0.0013","90","","93.337","0.003","90","","3395.1","0.6","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.1934","0.0934","","","0.1687","0.2376","","","","","","1.018","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243248","25.2017","0.0013","18.1205","0.0012","24.0709","0.001","90","","105.576","0.005","90","","10588.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H126 Fe10 N4 Na2 O41 -","- C73 H122 Fe10 N4 Na2 O41 -","- C292 H488 Fe40 N16 Na8 O164 -","4","0.5","","Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G.","A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains","CrystEngComm","2021","23","30","5153","5156","10.1039/D1CE00777G","","","0.71073","MoKα","","0.1622","0.0748","","","0.1261","0.1537","","","","","","0.99","","","","has coordinates,has disorder","268629","2021-09-06","10:12:53",""
"7243257","9.9671","0.0003","7.2","0.0003","14.1385","0.0006","90","","92.803","0.003","90","","1013.41","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phe.H2O2.0.5H2O","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0529","0.0505","","","0.1285","0.1325","","","","","","1.096","","","","has coordinates","268648","2021-09-06","10:24:00",""
"7243258","11.6333","0.0003","5.9869","0.0001","28.5029","0.001","90","","90","","90","","1985.15","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","DL-Phe.H2O2","","- C9 H13 N O3.9675 -","- C9 H13 N O3.9675 -","- C72 H104 N8 O31.74 -","8","2","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0446","0.0364","","","0.0836","0.0879","","","","","","1.052","","","","has coordinates,has disorder","268648","2021-09-06","10:24:01",""
"7243259","4.7744","0.0004","7.3961","0.0007","9.8715","0.0006","90.222","0.005","90.124","0.003","101.127","0.006","342.03","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","DL-Asn.H2O2","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C8 H20 N4 O10 -","2","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.043","0.0371","","","0.0865","0.0919","","","","","","1.045","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243260","5.571","0.002","9.766","0.004","11.738","0.004","90","","90","","90","","638.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asn.H2O","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0301","0.0294","","","0.0775","0.0784","","","","","","1.067","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243261","15.502","0.002","7.5316","0.0011","19.141","0.003","90","","102.593","0.004","90","","2181","0.5","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F12 H48 N10 O30 P6 Zr6 -","- F12 H48 N10 O30 P6 Zr6 -","- F24 H96 N20 O60 P12 Zr12 -","2","0.5","","Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming","A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity","CrystEngComm","2021","23","35","6093","6097","10.1039/D1CE00852H","","","0.71073","MoKα","","0.0349","0.0315","","","0.1019","0.1046","","","","","","1.078","","","","has coordinates","269685","2021-10-06","14:53:20",""
"7243262","6.7098","0.0002","21.4689","0.0008","9.428","0.0002","90","","91.889","0.002","90","","1357.38","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu1-net]","","","- C30 H30 Cu N4 O8 -","- C30 H30 Cu N4 O8 -","- C60 H60 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.0509","0.0481","","","0.1099","0.1113","","","","","","1.303","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243263","8.6156","0.0001","11.3142","0.0001","14.8436","0.0002","90","","100.887","0.001","90","","1420.89","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu]n-2","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C60 H68 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.043","0.0424","","","0.1401","0.1406","","","","","","1.138","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243269","13.506","0.005","17.59","0.004","18.041","0.006","90","","97.01","0.02","90","","4254","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H65 N27 O23 Zn4 -","- C69 H65 N27 O23 Zn4 -","- C138 H130 N54 O46 Zn8 -","2","0.5","","Zhou, Yan; Han, Lei; Chen, Wen-Jie","Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework","CrystEngComm","2021","23","35","5982","5988","10.1039/D1CE00689D","","","0.71073","MoKα","","0.1743","0.0682","","","0.124","0.146","","","","","","1.023","","","","has coordinates","269690","2021-10-06","14:54:30",""
"7243272","10.3161","0.0003","14.7176","0.0004","16.3208","0.0004","90","","98.968","0.003","90","","2447.67","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Co N4 O5 -","- C29 H21 Co N4 O5 -","- C116 H84 Co4 N16 O20 -","4","1","","Zhao, Dongsheng; Song, Junqi; Zhang, Xiutang; Wang, Feng; Li, Bei; Yang, Lulu; Deng, Yuxin; Li, Qingbo; Fan, Liming","A pillar-layered binuclear 3D cobalt(ii) coordination polymer as an electrocatalyst for overall water splitting and as a chemosensor for Cr(vi) anion detection","CrystEngComm","2021","23","36","6245","6252","10.1039/D1CE00685A","","","0.71073","MoKα","","0.0644","0.0465","","","0.1172","0.1276","","","","","","1.044","","","","has coordinates","269675","2021-10-06","14:51:14",""
"7243273","4.928","0.0003","17.0736","0.0011","16.567","0.0011","90","","91.691","0.001","90","","1393.32","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Hg I2 N4 O -","- C10 H8 Hg I2 N4 O -","- C40 H32 Hg4 I8 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0205","0.0171","","","0.0315","0.0322","","","","","","1.115","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243274","19.052","0.002","59.023","0.007","4.0392","0.0005","90","","90","","90","","4542.1","0.9","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd I2 N8 O2 -","- C20 H16 Cd I2 N8 O2 -","- C160 H128 Cd8 I16 N64 O16 -","8","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.025","0.0244","","","0.0655","0.0656","","","","","","1.467","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243275","3.9055","0.0004","34.576","0.003","9.6848","0.0009","90","","101.416","0.001","90","","1281.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 Hg N4 O -","- C10 H8 Br2 Hg N4 O -","- C40 H32 Br8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0299","0.025","","","0.0421","0.0431","","","","","","1.153","","","","has coordinates","288154","2023-12-07","16:16:26",""
"7243276","3.8092","0.0004","33.691","0.004","9.6053","0.0011","90","","100.534","0.0015","90","","1211.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Hg N4 O -","- C10 H8 Cl2 Hg N4 O -","- C40 H32 Cl8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0272","0.0224","","","0.0395","0.0407","","","","","","1.12","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243277","7.5409","0.0007","11.8032","0.0011","13.1436","0.0013","79.856","0.001","89.98","0.001","74.499","0.001","1108.35","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N8 O2 Zn -","- C20 H16 Cl2 N8 O2 Zn -","- C40 H32 Cl4 N16 O4 Zn2 -","2","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0318","0.0254","","","0.0576","0.0601","","","","","","1.042","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243285","11.0881","0.0002","33.6789","0.0005","12.0491","0.0002","90","","108.137","0.002","90","","4275.99","0.13","169.99","0.1","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(((aquo)-N-(2-oxo-3-hydroxybenzylidene)isonicotinylhydrazonato)dioxomolybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H62 Mo12 N14 O54 -","- C56 H62 Mo12 N14 O54 -","- C112 H124 Mo24 N28 O108 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0503","0.0443","","","0.1281","0.1324","","","","","","1.094","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243286","7.9678","0.0003","10.7556","0.0006","18.9607","0.0007","83.396","0.004","83.567","0.003","73.581","0.004","1542.89","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0639","0.0416","","","0.0873","0.1026","","","","","","1.074","","","","has coordinates,has disorder","269676","2021-10-06","14:51:41",""
"7243287","9.4085","0.0004","16.2433","0.0005","17.3878","0.0004","116.276","0.003","95.232","0.003","93.035","0.003","2359.8","0.15","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0536","0.0515","","","0.1461","0.1482","","","","","","1.09","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243288","9.3622","0.0007","10.7026","0.0009","15.853","0.001","106.074","0.006","92.475","0.006","107.934","0.007","1437.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.1813","0.0738","","","0.103","0.1375","","","","","","0.985","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243289","10.8617","0.0004","10.9074","0.0004","13.8765","0.0006","97.652","0.003","107.915","0.003","114.577","0.004","1356.26","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-methoxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0464","0.0335","","","0.0772","0.0847","","","","","","1.136","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243290","7.5406","0.0006","8.665","0.0015","17.325","0.003","103.429","0.014","90.359","0.009","89.999","0.01","1101","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","[bis-(N'-(2-oxo-3-methoxybenzylidene)isonicotinoylhydrazonato)tetraoxodimolybdenum(vi) hexamolybdate","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","x-ray","0.71073","MoKα","","0.1783","0.0765","","","0.1486","0.1747","","","","","","0.78","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243291","10.2611","0.0002","10.5249","0.0002","15.9967","0.0002","100.373","0.001","104.041","0.002","106.41","0.002","1549.28","0.06","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0368","0.0342","","","0.0927","0.0944","","","","","","1.087","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243292","7.6794","0.0002","9.3605","0.0003","29.2326","0.0009","90","","89.706","0.003","90","","2101.3","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C26 H24 Mo8 N6 O31 -","- C26 H24 Mo8 N6 O31 -","- C52 H48 Mo16 N12 O62 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0827","0.0525","","","0.0952","0.1056","","","","","","1.089","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243293","10.5703","0.0002","11.3121","0.0002","14.2003","0.0002","107.159","0.001","102.412","0.001","105.877","0.002","1477.54","0.05","169.98","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0353","0.0315","","","0.0835","0.085","","","","","","1.105","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243294","21.0479","0.0004","8.6686","0.0002","29.2039","0.0005","90","","95.92","0.002","90","","5300","0.18","169.98","0.1","170.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[N'-(2-oxo-4-hydroxybenzylidene)isonicotinoylhydrazonato](acetonitrile)dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C34 H32 Mo8 N10 O29 -","- C34 H32 Mo8 N10 O29 -","- C136 H128 Mo32 N40 O116 -","4","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0442","0.0418","","","0.1177","0.1208","","","","","","1.081","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243295","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243296","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243297","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243298","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243299","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243300","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243301","6.3273","0.0004","12.3383","0.0007","29.2787","0.0016","90","","95.255","0.002","90","","2276.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C88 H112 N8 O24 S8 -","4","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71076","MoKα","","0.0943","0.0821","","","0.1799","0.1853","","","","","","1.223","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243302","39.252","0.005","13.2429","0.0016","11.3983","0.0015","90","","103.326","0.003","90","","5765.4","1.3","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O14 S3 -","- C26 H24 N2 O14 S3 -","- C208 H192 N16 O112 S24 -","8","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71073","MoKα","","0.0741","0.0626","","","0.1554","0.1612","","","","","","1.125","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243304","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243305","10.8154","0.0006","15.2133","0.0009","16.0136","0.0008","64.677","0.003","83.593","0.003","75.477","0.003","2305.5","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C96 H84 B4 F8 I4 N12 -","4","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.1079","0.0805","","","0.2111","0.2206","","","","","","1.069","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243306","16.712","0.0011","7.8829","0.0004","34.6268","0.0019","90","","90","","90","","4561.7","0.5","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C192 H168 B8 F16 I8 N24 -","8","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0639","0.0417","","","0.0925","0.1002","","","","","","1.043","","","","has coordinates","269684","2021-10-06","14:53:13",""
"7243307","13.2078","0.001","7.3883","0.0005","13.6241","0.0009","90","","110.544","0.003","90","","1244.93","0.15","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0289","0.0222","","","0.0459","0.049","","","","","","1.0562","","","","has coordinates","269695","2021-10-06","15:00:29",""
"7243308","13.857","0.0006","13.7638","0.0006","11.5041","0.0005","90","","104.737","0.002","90","","2121.94","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F8 I2 N2 -","- C20 H12 F8 I2 N2 -","- C80 H48 F32 I8 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0186","0.0164","","","0.0389","0.041","","","","","","1.0477","","","","has coordinates","269695","2021-10-06","15:00:38",""
"7243309","6.8796","0.0006","7.4209","0.0006","9.2086","0.0008","82.848","0.003","82.965","0.003","75.554","0.003","449.67","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0294","0.0258","","","0.0682","0.072","","","","","","1.054","","","","has coordinates","269695","2021-10-06","15:00:40",""
"7243310","5.7357","0.0001","6.2412","0.0001","10.6257","0.0001","86.11","0.001","74.656","0.001","77.418","0.001","357.986","0.009","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.021","0.0173","","","0.0373","0.0418","","","","","","1.0986","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243311","8.0424","0.0004","7.0976","0.0004","33.8513","0.0017","90","","94.497","0.002","90","","1926.34","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br2 F8 N2 -","- C20 H6 Br2 F8 N2 -","- C80 H24 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0521","0.0341","","","0.0812","0.0928","","","","","","1.0666","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243312","7.3598","0.0005","11.2484","0.0008","13.8819","0.001","88.308","0.003","78.403","0.002","76.782","0.002","1095.78","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N2 -","- C24 H10 Br2 F8 N2 -","- C48 H20 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0359","0.0288","","","0.0586","0.0605","","","","","","1.0766","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243313","7.9217","0.0005","11.1526","0.0009","12.8382","0.001","105.19","0.004","107.58","0.002","90.334","0.003","1039.01","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C44 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0613","0.0453","","","0.0884","0.0951","","","","","","1.0647","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243314","4.8003","0.0002","6.6036","0.0002","10.9521","0.0004","83.796","0.003","84.121","0.003","79.072","0.003","337.69","0.02","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.0329","0.028","","","0.0614","0.0626","","","","","","1.0432","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243315","12.9213","0.0006","12.3927","0.0006","11.7294","0.0005","90","","90","","90","","1878.23","0.15","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 Br2 F8 N2 -","- C18 H8 Br2 F8 N2 -","- C72 H32 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0309","0.0216","","","0.0447","0.0473","","","","","","1.007","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243316","7.7281","0.0002","7.6981","0.0003","36.2272","0.0013","90","","91.551","0.001","90","","2154.43","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C88 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0299","0.0249","","","0.0495","0.0518","","","","","","1.0663","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243317","13.3837","0.0009","13.8699","0.001","11.1754","0.0008","90","","102.784","0.003","90","","2023.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 F8 N2 -","- C20 H12 Br2 F8 N2 -","- C80 H48 Br8 F32 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0179","0.0162","","","0.0412","0.0421","","","","","","1.0309","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243318","7.776","0.0004","10.0737","0.0006","14.895","0.0009","81.781","0.002","78.26","0.002","83.082","0.002","1125.59","0.11","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Br2 F8 N2 -","- C24 H12 Br2 F8 N2 -","- C48 H24 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0235","0.0193","","","0.0468","0.0491","","","","","","1.0529","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243319","7.0459","0.0003","14.8959","0.0006","11.1802","0.0005","90","","102.71","0.0015","90","","1144.66","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 F4 N4 -","- C22 H24 Br2 F4 N4 -","- C44 H48 Br4 F8 N8 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0366","0.0277","","","0.0593","0.0658","","","","","","1.0569","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243320","7.4148","0.0005","11.4097","0.0007","21.198","0.0012","90.035","0.002","90.01","0.002","107.163","0.002","1713.5","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H10 Br4 F16 N2 -","- C36 H10 Br4 F16 N2 -","- C72 H20 Br8 F32 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0319","0.0243","","","0.0529","0.0565","","","","","","1.0571","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243321","7.7409","0.0004","11.2944","0.0006","12.7419","0.0008","73.313","0.002","72.443","0.002","89.944","0.002","1012.9","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N2 -","- C22 H8 Br2 F8 N2 -","- C44 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0785","0.0554","","","0.1159","0.1231","","","","","","1.0489","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243322","11.499","0.001","6.267","0.0005","19.965","0.0018","90","","98.291","0.003","90","","1423.7","0.2","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 F4 N2 -","- C14 H6 Br2 F4 N2 -","- C56 H24 Br8 F16 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.029","0.0208","","","0.0463","0.0523","","","","","","1.066","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243323","13.5292","0.0011","10.9229","0.0008","14.122","0.001","90","","108.47","0.003","90","","1979.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F8 I2 N2 -","- C18 H12 F8 I2 N2 -","- C72 H48 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0223","0.0191","","","0.0436","0.047","","","","","","1.0544","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243324","7.9651","0.0005","10.8942","0.0007","14.4024","0.001","108.756","0.002","105.483","0.002","90.273","0.003","1134.8","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N2 -","- C24 H10 F8 I2 N2 -","- C48 H20 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0308","0.0236","","","0.0503","0.058","","","","","","1.0903","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243325","13.1047","0.001","10.8097","0.0008","14.146","0.0011","90","","107.369","0.003","90","","1912.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 F8 N2 -","- C18 H12 Br2 F8 N2 -","- C72 H48 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0449","0.0297","","","0.0594","0.0661","","","","","","1.0284","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243326","13.1529","0.0017","18.502","0.003","15.239","0.003","90","","90","","90","","3708.5","1.1","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H12 F4 I2 N2 -","- C18 H12 F4 I2 N2 -","- C144 H96 F32 I16 N16 -","8","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0316","0.0239","","","0.0447","0.0503","","","","","","1.061","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243327","7.938","0.003","10.577","0.004","29.826","0.011","91.873","0.011","94.086","0.013","105.304","0.011","2405.8","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H18 Br6 F24 N3 -","- C45 H18 Br6 F24 N3 -","- C90 H36 Br12 F48 N6 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.041","0.0285","","","0.055","0.062","","","","","","1.0693","","","","has coordinates,has disorder","269695","2021-10-06","15:00:41",""
"7243328","7.7139","0.0006","12.2385","0.001","13.5005","0.0011","113.307","0.003","99.272","0.003","94.932","0.003","1139.37","0.16","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I2 N2 -","- C24 H8 F8 I2 N2 -","- C48 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0163","0.0143","","","0.034","0.0355","","","","","","1.0633","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243329","7.6092","0.0004","12.2473","0.0007","12.89","0.0008","111.115","0.002","100.664","0.002","95.114","0.002","1085.22","0.11","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 Br2 F8 N2 -","- C24 H8 Br2 F8 N2 -","- C48 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0222","0.0182","","","0.0413","0.0437","","","","","","1.0713","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243330","8.2738","0.0005","6.9896","0.0004","34.5606","0.0018","90","","93.006","0.002","90","","1995.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 F8 I2 N2 -","- C20 H6 F8 I2 N2 -","- C80 H24 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.021","0.0171","","","0.0361","0.0388","","","","","","1.0613","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243331","6.8925","0.0009","7.6625","0.001","8.623","0.0012","108.019","0.005","97.023","0.005","109.558","0.004","394.92","0.09","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0236","0.0199","","","0.0425","0.0455","","","","","","1.0716","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243332","7.6382","0.0004","15.066","0.0008","35.9783","0.0018","90","","90.815","0.002","90","","4139.9","0.4","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H16 Br4 F16 N4 -","- C44 H16 Br4 F16 N4 -","- C176 H64 Br16 F64 N16 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0377","0.0265","","","0.0544","0.0593","","","","","","1.074","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243333","12.6612","0.0011","12.5742","0.0012","12.2189","0.0011","90","","90","","90","","1945.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F8 I2 N2 -","- C18 H8 F8 I2 N2 -","- C72 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0274","0.0265","","","0.065","0.0658","","","","","","1.0488","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243334","7.7759","0.0002","9.1295","0.0002","11.648","0.0001","97.062","0.001","95.417","0.001","110.587","0.002","759.74","0.03","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F4 I2 N2 -","- C13 H10 F4 I2 N2 -","- C26 H20 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.035","0.0302","","","0.0809","0.1058","","","","","","1.258","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243335","7.9933","0.0007","10.05","0.001","15.0745","0.0014","80.124","0.003","78.66","0.003","83.953","0.003","1166.52","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F8 I2 N2 -","- C24 H12 F8 I2 N2 -","- C48 H24 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0184","0.0168","","","0.0389","0.0397","","","","","","1.0609","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243340","10.3439","0.0005","11.4569","0.0006","11.9709","0.0006","76.621","0.002","64.402","0.002","85.987","0.002","1243.97","0.11","298","2","298.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22.5 Cd2 N2 O12.75 -","- C21 H22.5 Cd2 N2 O12.75 -","- C42 H45 Cd4 N4 O25.5 -","2","1","","Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu","An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives","CrystEngComm","2021","23","35","6171","6179","10.1039/D1CE00939G","","","0.71073","MoKα","","0.0453","0.0302","","","0.0634","0.0688","","","","","","1.039","","","","has coordinates,has disorder","269692","2021-10-06","14:55:06",""
"7243341","9.19375","0.00021","12.33041","0.00024","3.016669","0.000051","90","","90","","90","","341.978","0.012","300","","300","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.228","","","","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243342","9.1828","0.0003","12.2766","0.0003","3.0091","0.0001","90","","90","","90","","339.227","0.018","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.043","0.0425","","","0.1203","0.1206","","","","","","1.968","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243343","9.1735","0.0002","12.2939","0.0003","3.0018","0.0001","90","","90","","90","","338.537","0.016","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B2 Cu Mn2 Ni3 O10 -","- B2 Cu Mn2 Ni3 O10 -","- B4 Cu2 Mn4 Ni6 O20 -","2","0.25","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.0418","0.0413","","","0.1266","0.127","","","","","","2.021","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243345","3.7462","0.0011","9.557","0.003","29.904","0.008","90","","90.357","0.005","90","","1070.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F2 O2 -","- C15 H8 F2 O2 -","- C60 H32 F8 O8 -","4","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0856","0.0478","","","0.1117","0.1273","","","","","","1.034","","","","has coordinates","268687","2021-09-06","10:32:12",""
"7243346","18.665","0.002","3.8338","0.0004","33.213","0.004","90","","95.3374","0.0017","90","","2366.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8.07 Cl1.93 O2 -","- C15 H8.07 Cl1.93 O2 -","- C120 H64.56 Cl15.44 O16 -","8","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0546","0.0443","","","0.1126","0.1199","","","","","","1.066","","","","has coordinates,has disorder","268687","2021-09-06","10:32:13",""
"7243347","8.6373","0.0005","10.47","0.0007","11.2282","0.0006","69.078","0.002","87.216","0.002","66.729","0.002","866.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0738","0.061","","","0.1965","0.205","","","","","","1.061","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243348","8.5037","0.0005","10.2366","0.0006","11.0539","0.0007","68.641","0.002","87.059","0.002","67.707","0.002","824.94","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0316","0.0288","","","0.0822","0.0838","","","","","","1.048","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243353","8.695","0.009","11.849","0.013","13.515","0.014","71.182","0.011","88.994","0.011","80.25","0.011","1298","2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl N5 O -","- C31 H28 Cl N5 O -","- C62 H56 Cl2 N10 O2 -","2","1","","Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R.","Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations","CrystEngComm","2021","23","32","5421","5424","10.1039/D1CE00751C","","","0.71075","MoKα","","0.2314","0.1016","","","0.2055","0.2649","","","","","","0.953","","","","has coordinates","268649","2021-09-06","10:24:21",""
"7243354","7.7083","0.0002","17.6112","0.0005","23.3347","0.0004","96.381","0.002","96.351","0.002","94.418","0.002","3115.98","0.13","123","2","123","","","","","","","","","3","P -1","-P 1","2","","HPyB-TCNQ","","- C78 H38 N20 -","- C78 H38 N20 -","- C156 H76 N40 -","2","1","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.1129","0.064","","","0.1731","0.2055","","","","","","1.028","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243355","7.7403","0.0001","17.6776","0.0002","23.7797","0.0002","96.408","0.001","96.97","0.001","94.633","0.001","3194.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H19 N10 -","- C39 H19 N10 -","- C156 H76 N40 -","4","2","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.0801","0.0638","","","0.194","0.2108","","","","","","1.069","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243356","8.0531","0.0005","8.0531","0.0005","6.9501","0.0008","90","","90","","90","","450.73","0.07","292.22","0.1","292.22","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.0625","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","x-ray","0.71073","MoKα","","0.0976","0.096","","","0.2515","0.2524","","","","","","1.33","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243357","18.4754","0.0008","18.4754","0.0008","18.4754","0.0008","90","","90","","90","","6306.4","0.5","298.15","","298.15","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu8 Na6 Se13 Sn3 -","- Cu8 Na6 Se13 Sn3 -","- Cu64 Na48 Se104 Sn24 -","8","0.0416667","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","","0.71073","MoKα","","0.0646","0.0442","","","0.0964","0.1068","","","","","","1.068","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243362","9.606","0.0003","9.606","0.0003","23.5219","0.0013","90","","90","","120","","1879.7","0.13","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C2 H6 B12 K Li Na8 O30 -","- C2 H6 B12 K Li Na8 O30 -","- C6 H18 B36 K3 Li3 Na24 O90 -","3","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.039","0.0356","","","0.0881","0.0899","","","","","","1.097","","","","has coordinates","269669","2021-10-06","14:48:16",""
"7243363","9.3037","0.0019","10.863","0.002","13.007","0.003","90","","96.316","0.006","90","","1306.6","0.5","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Cs5 H8 Li O25 -","- B12 Cs5 H6.5 Li O25 -","- B24 Cs10 H13 Li2 O50 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0742","0.0666","","","0.1496","0.1548","","","","","","1.005","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243364","18.5529","0.0005","10.8877","0.0003","13.0326","0.0003","90","","96.274","0.002","90","","2616.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B24 Cs10 H16 Li2 O50 -","- B24 Cs10 H16 Li2 O50 -","- B48 Cs20 H32 Li4 O100 -","2","0.5","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0383","0.0368","","","0.082","0.0829","","","","","","1.089","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243367","12.2879","0.0011","13.4691","0.0013","15.8572","0.0015","67.268","0.009","89.258","0.008","63.953","0.009","2135.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H53 N5 Ni2 O10 S -","- C43 H53 N5 Ni2 O10 S -","- C86 H106 N10 Ni4 O20 S2 -","2","1","","Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik","Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond","CrystEngComm","2021","23","38","6724","6735","10.1039/D1CE00855B","","","0.71073","MoKα","","0.1468","0.0798","","","0.1759","0.2123","","","","","","0.908","","","","has coordinates","270450","2021-11-06","19:59:59",""
"7243368","9.9901","0.0008","10.1477","0.0007","11.9438","0.0009","64.998","0.007","76.806","0.007","82.831","0.006","1067.84","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Eu N6 O8 -","- C21 H16 Eu N6 O8 -","- C42 H32 Eu2 N12 O16 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.046","0.0364","","","0.0696","0.0739","","","","","","0.976","","","","has coordinates","269667","2021-10-06","14:47:54",""
"7243369","8.2132","0.0005","9.955","0.0007","11.4034","0.0006","101.681","0.005","102.242","0.005","107.25","0.006","834.27","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N4 O7 Tb -","- C15 H10 N4 O7 Tb -","- C30 H20 N8 O14 Tb2 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.0382","0.0322","","","0.0716","0.0751","","","","","","1.076","","","","has coordinates","269667","2021-10-06","14:47:56",""
"7243371","4.4398","0.0003","19.0129","0.0011","13.8958","0.001","90","","92.18","0.003","90","","1172.14","0.13","149.59","","149.59","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0747","0.0576","","","0.1428","0.1548","","","","","","1.027","","","","has coordinates","268694","2021-09-06","10:33:30",""
"7243372","25.1344","0.0012","3.8736","0.0001","11.9831","0.0005","90","","90","","90","","1166.68","0.08","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0317","0.0238","","","0.0481","0.051","","","","","","1.01","","","","has coordinates","268694","2021-09-06","10:33:31",""
"7243373","19.1729","0.0001","5.8157","0.0001","22.9536","0.0001","90","","90","","90","","2559.41","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.039","0.019","","","","0.042","0.019","","","","","1.009","","","","has coordinates","269686","2021-10-06","14:53:55",""
"7243374","19.157","0.006","5.791","0.002","22.956","0.007","90","","90","","90","","2546.7","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.25","neutron","","0.0957","0.0886","","","0.2142","0.2274","","","","","","1.048","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243375","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0447","0.0263","","","0.0616","0.0678","","","","","","0.8748","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243376","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.055","0.019","","","","0.046","0.026","","","","","1.071","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243377","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C160 H192 N64 O112 -","16","2","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0466","0.0279","","","0.084","0.0963","","","","","","0.7239","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243378","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.054","0.025","","","","0.053","0.025","","","","","1.028","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243379","6.8169","0.0005","7.3756","0.0005","8.5055","0.0006","105.538","0.002","90.512","0.002","111.867","0.002","379.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 Ni O6 -","- C5 H6 N2 Ni O6 -","- C10 H12 N4 Ni2 O12 -","2","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0421","0.0404","","","0.1039","0.1059","","","","","","1.067","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243380","7.7733","0.0005","9.819","0.0006","14.7763","0.001","90","","90","","90","","1127.82","0.13","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0468","0.042","","","0.1054","0.111","","","","","","1.0735","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243381","20.7074","0.0011","4.9052","0.0002","28.1381","0.0014","90","","90","","90","","2858.1","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0435","","0.1074","0.0998","0.1074","","","","","","1.1689","","","","has coordinates","269680","2021-10-06","14:52:27",""
"7243382","20.3217","0.00004","4.7007","0.00001","27.4573","0.00003","90","","90","","90","","2622.89","0.008","293","","293","","","","760000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H43 N4 O4 Pt -","- C28 H43 N4 O4 Pt -","- C112 H172 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.08","0.08","","0.1652","0.1652","0.068","","","","","","1.0829","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243383","20.088","0.003","4.6778","0.0003","27.3616","0.0015","90","","90","","90","","2571.1","0.4","293","","293","","","","1430000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0827","0.0827","","0.1235","0.1235","0.1165","","","","","","1.0521","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243384","20.602","0.0017","4.8431","0.0001","27.9031","0.0007","90","","90","","90","","2784.1","0.2","293","","293","","","","140000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0603","","0.0932","0.0932","0.0932","","","","","","1.1217","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243385","18.0232","0.0011","18.0621","0.0009","24.6633","0.0016","90","","90.917","0.004","90","","8027.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H58 Cd2 N14 O10 -","- C84 H58 Cd2 N14 O10 -","- C336 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1374","0.0632","","","0.138","0.1701","","","","","","0.985","","","","has coordinates","268106","2021-08-17","22:42:14",""
"7243386","18.151","0.005","18.053","0.005","24.485","0.007","90","","90.522","0.004","90","","8023","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H58 Cd2 N14 O10 -","- C82 H58 Cd2 N14 O10 -","- C328 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1052","0.0525","","","0.1272","0.148","","","","","","0.976","","","","has coordinates","268106","2021-08-17","22:42:15",""
"7243387","14.0509","0.0007","10.1555","0.0005","17.9303","0.001","90","","103.03","0.002","90","","2492.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N3 O6 Zn -","- C27 H25 N3 O6 Zn -","- C108 H100 N12 O24 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.067","0.0559","","","0.1422","0.1521","","","","","","1.049","","","","has coordinates","269691","2021-10-06","14:54:53",""
"7243388","31.098","0.003","5.719","0.0004","23.853","0.002","90","","106.322","0.004","90","","4071.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N4 O7 Zn -","- C46 H44 N4 O7 Zn -","- C184 H176 N16 O28 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0871","0.0601","","","0.1325","0.1499","","","","","","1.04","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243389","33.183","0.007","8.9246","0.0018","15.409","0.003","90","","115.059","0.008","90","","4133.8","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H45 N7 O8 Zn -","- C43 H45 N7 O8 Zn -","- C172 H180 N28 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.123","0.0763","","","0.1496","0.1701","","","","","","1.059","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243390","16.763","0.002","15.8859","0.0019","16.337","0.002","90","","108.155","0.004","90","","4133.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O10 Zn -","- C40 H52 N4 O10 Zn -","- C160 H208 N16 O40 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0996","0.0564","","","0.1332","0.16","","","","","","1.021","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243391","11.8153","0.0009","12.2801","0.0011","17.4928","0.0016","108.449","0.004","96.437","0.004","102.812","0.004","2301.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N5 O10 Zn -","- C48 H53 N5 O10 Zn -","- C96 H106 N10 O20 Zn2 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1056","0.0631","","","0.1551","0.1849","","","","","","1.054","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243392","16.8072","0.0009","16.4259","0.0008","24.7605","0.0015","90","","90","","90","","6835.7","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C74 H74 N8 O15 Zn2 -","- C74 H74 N8 O15 Zn2 -","- C296 H296 N32 O60 Zn8 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1321","0.0415","","","0.0739","0.1085","","","","","","0.92","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243393","11.4978","0.00015","11.4978","0.00015","5.62608","0.00008","90","","90","","90","","743.764","0.017","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B12 Cu5.994 Ni0.006 O24 -","- B12 Cu5.994 Ni0.006 O24 -","- B24 Cu11.988 Ni0.012 O48 -","2","0.125","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.58","","","","","","","has coordinates","270449","2021-11-06","19:59:36",""
"7243394","11.49731","0.00009","11.49731","0.00009","5.62593","0.00006","90","","90","","90","","743.681","0.011","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","1","0.0625","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.61","","","","","","","has coordinates","270449","2021-11-06","19:59:37",""
"7243406","10.146","0.002","13.915","0.002","14.641","0.012","90","","96.29","0.07","90","","2054.6","1.8","290.6","0.3","290.6","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O6 S Zn -","- C23 H14 N2 O6 S Zn -","- C92 H56 N8 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin","Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation","CrystEngComm","2021","23","36","6315","6321","10.1039/D1CE00900A","","x-ray","0.71073","MoKα","","0.0469","0.036","","","0.0757","0.0797","","","","","","1.068","","","","has coordinates","269679","2021-10-06","14:52:15",""
"7243407","8.125","0.0005","13.7648","0.0011","15.2241","0.0011","90","","90","","90","","1702.6","0.2","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0974","0.0906","","","0.259","0.266","","","","","","1.039","","","","has coordinates,has disorder","269674","2021-10-06","14:51:03",""
"7243408","11.0804","0.001","18.793","0.002","7.5692","0.0003","90","","98.945","0.006","90","","1557","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H17.322 N2 O2 -","- C76 H69.288 N8 O8 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0573","0.0447","","","0.0916","0.0995","","","","","","1.067","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243409","12.9151","0.0009","14.7249","0.0009","17.8978","0.0012","76.037","0.002","76.919","0.002","82.899","0.002","3208.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Cu2 N4 O10.5 -","- C84 H58 Cu2 N4 O10.5 -","- C168 H116 Cu4 N8 O21 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1341","","","","","","1.032","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243410","11.41009","0.00012","16.18167","0.00018","16.91043","0.00019","90","","92.4308","0.001","90","","3119.44","0.06","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O5 Zn -","- C41 H28 N2 O5 Zn -","- C164 H112 N8 O20 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0805","0.0823","","","","","","1.022","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243411","7.639","0.002","14.165","0.004","14.697","0.004","95.51","0.02","104.51","0.02","96.46","0.02","1517","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C82 H60 N4 O8 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.1475","0.0907","","","0.2117","0.2438","","","","","","1.141","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243412","11.3049","0.0004","17.2598","0.0007","15.7727","0.0006","90","","92.748","0.0015","90","","3074","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O4 Zn -","- C41 H28 N2 O4 Zn -","- C164 H112 N8 O16 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0903","0.0482","","","0.0917","0.1069","","","","","","1.012","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243413","14.023","0.003","15.366","0.003","14.628","0.003","90","","109.68","0.03","90","","2967.9","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C160 H112 N8 O16 -","4","0.5","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0543","0.0364","","","0.0956","0.1008","","","","","","1.035","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243416","30.983","0.004","30.983","0.004","31.523","0.007","90","","90","","90","","30260","9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1048","0.0631","","","0.1582","0.1943","","","","","","1.006","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243417","31.0292","0.0005","31.0292","0.0005","31.3898","0.0006","90","","90","","90","","30222.5","0.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","0.71073","MoKα","","0.0851","0.0427","","","0.0835","0.0895","","","","","","0.807","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243418","31.008","0.004","31.008","0.004","30.85","0.004","90","","90","","90","","29662","7","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.0514","0.0432","","","0.1208","0.1296","","","","","","1.032","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243419","31.0353","0.0011","31.0353","0.0011","31.3981","0.0012","90","","90","","90","","30242.3","1.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1078","0.0976","","","0.2507","0.2673","","","","","","1.068","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243420","20.206","0.007","6.6378","0.0019","20.461","0.005","90","","116.74","0.02","90","","2450.8","1.3","298","","298","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C100 H128 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0927","0.0708","","","0.1952","0.2094","","","","","","1.003","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243421","6.943","0.003","17.066","0.006","20.466","0.008","90","","90","","90","","2425","1.7","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0824","0.0438","","","0.0841","0.0942","","","","","","0.831","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243422","19.945","0.01","6.698","0.004","18.303","0.01","90","","94.98","0.009","90","","2436","2","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N2 O7 -","- C23 H29 N2 O7 -","- C92 H116 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1203","0.0832","","","0.2214","0.2455","","","","","","0.945","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243423","21.387","0.01","6.419","0.003","18.467","0.008","90","","121.541","0.007","90","","2160.7","1.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H25 N2 O7 -","- C21 H25 N2 O7 -","- C84 H100 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1078","0.0728","","","0.1904","0.2199","","","","","","0.95","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243424","6.6594","0.0003","11.845","0.0005","26.345","0.0013","90","","90","","90","","2078.11","0.16","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0478","0.0461","","","0.1205","0.1224","","","","","","1.095","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243425","8.978","0.004","9.713","0.005","28.903","0.014","90","","90","","90","","2520","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1296","0.0495","","","0.0916","0.1102","","","","","","0.766","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243426","6.5187","0.0003","10.9299","0.0006","17.6311","0.0009","99.531","0.002","97.444","0.002","106.711","0.002","1165.47","0.1","100","","99.98","","","","","","","","","4","P 1","P 1","1","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","1","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.054","0.0444","","","0.1041","0.1131","","","","","","1.05","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243427","6.722","0.002","19.671","0.006","20.29","0.006","90","","90","","90","","2682.9","1.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O7 -","- C24 H28 F6 N2 O7 -","- C96 H112 F24 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.0591","","","0.1579","0.1813","","","","","","0.907","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243428","6.5291","0.0019","19.368","0.006","20.431","0.006","90","","90","","90","","2583.6","1.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C112 H136 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.051","","","0.0819","0.0982","","","","","","0.825","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243429","15.5984","0.0005","15.7897","0.0005","23.5416","0.0007","90","","90","","90","","5798.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 N3 O7.5 S -","- C29 H33 N3 O7.5 S -","- C232 H264 N24 O60 S8 -","8","2","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0468","0.0447","","","0.1184","0.1203","","","","","","1.035","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7243430","30.0476","0.0016","6.6972","0.0003","21.922","0.0012","90","","127.752","0.007","90","","3488","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","AS-CND","","- C38 H50 N2 O9 -","- C38 H50 N2 O9 -","- C152 H200 N8 O36 -","4","1","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","","1.54178","CuKα","","0.0791","0.0692","","","0.155","0.16","","","","","","1.077","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243431","6.7848","0.0003","10.6171","0.0005","15.4805","0.0008","98.689","0.002","97.586","0.002","108.323","0.002","1027.12","0.09","100","","100","","","","","","","","","5","P 1","P 1","1","","QN HCl 2H2O","","- C20 H29 Cl N2 O4 -","- C20 H29 Cl N2 O4 -","- C40 H58 Cl2 N4 O8 -","2","2","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","x-ray","1.54178","CuKα","","0.0816","0.0804","","","0.2147","0.2213","","","","","","1.099","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243435","11.0719","0.0007","13.1489","0.001","11.7587","0.0006","90","","98.256","0.002","90","","1694.13","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","1","0.25","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1398","0.0635","","","0.0912","0.1158","","","","","","1.064","","","","has coordinates","269681","2021-10-06","14:52:36",""
"7243436","9.4348","0.0014","9.9705","0.0016","11.5494","0.0018","68.346","0.003","83.463","0.003","76.625","0.003","981.9","0.3","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Co N3 O5 -","- C22 H14 Co N3 O5 -","- C44 H28 Co2 N6 O10 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.0582","0.0444","","","0.1305","0.1545","","","","","","1.151","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243437","10.0359","0.0006","14.6155","0.001","19.1561","0.0014","76.537","0.002","89.864","0.003","89.195","0.002","2732.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Co3 N8 O17 -","- C50 H34 Co3 N8 O17 -","- C100 H68 Co6 N16 O34 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1011","0.064","","","0.1601","0.1791","","","","","","1.053","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243438","7.908","0.0002","9.0612","0.0002","18.642","0.0003","95.133","0.002","100.853","0.002","107.104","0.002","1238.88","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","x-ray","1.54184","CuKα","","0.0365","0.0349","","","0.0909","0.0946","","","","","","1.064","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243439","6.1936","0.0005","15.2015","0.0012","18.859","0.0014","71.913","0.001","89.28","0.001","89.947","0.002","1687.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","","0.71073","MoKα","","0.0905","0.0501","","","0.0995","0.128","","","","","","1.01","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243451","25.85","0.005","13.375","0.003","27.037","0.005","90","","91.89","0.03","90","","9343","3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H88 Ce2.5 N2.5 O91 P4 W16 -","- C14 H16 Ce2.5 N O85.5 P4 W16 -","- C56 H64 Ce10 N4 O342 P16 W64 -","4","1","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains","CrystEngComm","2021","23","35","5989","5993","10.1039/D1CE00896J","","","0.71073","MoKα","","0.0708","0.0692","","","0.1891","0.1919","","","","","","1.019","","","","has coordinates,has disorder","269689","2021-10-06","14:54:23",""
"7243455","8.748","0.0008","8.7951","0.0008","15.4152","0.0018","96.274","0.009","97.889","0.009","98.627","0.008","1151.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C56 H48 N4 O10 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.1562","0.0612","","","0.072","0.0916","","","","","","1.04","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243456","7.9646","0.0015","12.144","0.002","14.685","0.003","112.558","0.002","90.032","0.003","99.526","0.002","1290.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C62 H52 N8 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0876","0.0543","","","0.1512","0.1745","","","","","","1.029","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243457","8.8551","0.0007","9.9074","0.0007","14.9941","0.0012","103.891","0.006","95.539","0.006","112.603","0.007","1152.44","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N2 O4 -","- C31 H21 N2 O4 -","- C62 H42 N4 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.086","0.0582","","","0.1416","0.1642","","","","","","1.042","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243458","9.065","0.001","12.112","0.002","13.231","0.003","110.005","0.017","94.095","0.012","105.378","0.013","1294.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N3 O4 -","- C35 H25 N3 O4 -","- C70 H50 N6 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.193","0.087","","","0.1564","0.205","","","","","","1.009","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243459","7.6359","0.0005","13.6124","0.0009","14.8657","0.0008","103.866","0.005","103.123","0.005","100.924","0.005","1411.53","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N6 O4 -","- C34 H26 N6 O4 -","- C68 H52 N12 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0883","0.0538","","","0.1294","0.1515","","","","","","1.017","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243460","7.1375","0.0007","12.3754","0.0011","19.214","0.0016","94.647","0.007","98.852","0.007","98.195","0.008","1650.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N5 O9 -","- C33 H29 N5 O9 -","- C66 H58 N10 O18 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.2393","0.1364","","","0.283","0.3282","","","","","","1.069","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243461","9.7458","0.0003","9.7458","0.0003","74.416","0.002","90","","90","","90","","7068.1","0.4","340","1","340","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","0.25","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1497","0.0747","","","0.1741","0.2294","","","","","","0.93","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243462","9.478","0.0003","9.9772","0.0003","74.311","0.002","91.03","0.003","90.423","0.002","90.136","0.003","7025.8","0.4","315","1","315","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1607","0.0847","","","0.1527","0.1954","","","","","","1.043","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243463","9.31052","0.00018","9.9603","0.0002","74.2011","0.0015","91.3016","0.0016","90.4551","0.0016","90.3631","0.0016","6878.9","0.2","180","1","180","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1027","0.0776","","","0.1211","0.1314","","","","","","1.113","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243464","9.38534","0.00017","9.99249","0.00019","74.2113","0.0014","91.1767","0.0015","90.4551","0.0015","90.1829","0.0015","6958","0.2","280","1","280","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0988","0.0593","","","0.1022","0.1221","","","","","","0.991","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243465","9.28488","0.00018","9.9294","0.0002","74.1606","0.0014","91.2956","0.0017","90.4755","0.0015","90.4013","0.0018","6834.9","0.2","130","1","130","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0974","0.0719","","","0.1386","0.1494","","","","","","1.089","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243466","9.3549","0.0002","9.9886","0.0003","74.2441","0.0018","91.25","0.002","90.478","0.002","90.243","0.002","6935.6","0.3","240","1","240","0.1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1116","0.0678","","","0.1254","0.1432","","","","","","1.027","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243467","7.3905","0.0002","8.8156","0.0003","16.4817","0.0005","90","","90","","90","","1073.81","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Ca3 K2 O12 -","- C4 Ca3 K2 O12 -","- C16 Ca12 K8 O48 -","4","1","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.","High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4","CrystEngComm","2021","23","38","6675","6681","10.1039/D1CE00882J","","x-ray","0.71073","MoKα","","0.0358","0.0266","","","0.0532","0.0558","","","","1.351","1.351","1.3081","","","","has coordinates","270447","2021-11-06","19:59:15",""
"7243468","9.0827","0.0004","9.5303","0.0005","15.2656","0.0005","81.275","0.004","78.069","0.003","85.015","0.004","1275.79","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 2,4-dicarboxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,4-dicarboxybenzoate","","- C31 H23 Cl N2 O6 -","- C31 H23 Cl N2 O6 -","- C62 H46 Cl2 N4 O12 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.041","0.0365","","","0.0917","0.0951","","","","","","1.038","","","","has coordinates","270436","2021-11-06","19:54:37",""
"7243469","9.1618","0.0007","10.0986","0.0008","14.4711","0.001","80.377","0.006","78.44","0.006","86.267","0.006","1292.58","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-dinitrosalicylate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2-hydroxy-3,5-dinitrobenzoate","","- C29 H21 Cl N4 O7 -","- C29 H21 Cl N4 O7 -","- C58 H42 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1457","0.0657","","","0.1546","0.196","","","","","","1.027","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243470","9.4734","0.0004","12.1901","0.0006","13.6109","0.0007","78.39","0.004","71.852","0.004","89.207","0.004","1461.05","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 4-Carboxy-1-naphthoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 4-Carboxy-1-naphthoate","","- C36 H31 Cl N2 O5 -","- C36 H31 Cl N2 O5 -","- C72 H62 Cl2 N4 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0767","0.0653","","","0.1733","0.1862","","","","","","1.049","","","","has coordinates,has disorder","270436","2021-11-06","19:54:40",""
"7243471","8.7637","0.0005","9.2884","0.0005","15.7219","0.0008","106.107","0.005","103.639","0.005","90.928","0.005","1190.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3-Nitrobenzoic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole 3-Nitrobenzoic acid","","- C29 H22 Cl N3 O4 -","- C29 H22 Cl N3 O4 -","- C58 H44 Cl2 N6 O8 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0958","0.0674","","","0.1702","0.1921","","","","","","1.036","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243472","8.6793","0.0003","10.6795","0.0006","13.6524","0.0007","95.603","0.004","95.284","0.004","97.549","0.004","1241.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Indole-6-carboxylic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole Indole-6-carboxylic acid","","- C31 H24 Cl N3 O2 -","- C31 H24 Cl N3 O2 -","- C62 H48 Cl2 N6 O4 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.076","0.0538","","","0.122","0.1395","","","","","","1.045","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243473","9.0175","0.0004","9.9958","0.0005","16.7343","0.0008","86.397","0.004","75.472","0.004","86.959","0.004","1456.18","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Syringic acid","1-((2-chlorophenyl)diphenylmethyl)-1h-imidazol 4-Hydroxy-3,5-dimethoxybenzoic acid","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C66 H60 Cl2 N6 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0571","0.0475","","","0.1192","0.1273","","","","","","1.05","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243474","21.0772","0.0007","8.2738","0.0003","13.8978","0.0005","90","","90","","90","","2423.62","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Clotrimazole 2,3-dihydroxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C116 H92 Cl4 N8 O16 -","4","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0649","0.0507","","","0.1065","0.1188","","","","","","1.076","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243475","11.7142","0.0006","15.503","0.0007","16.6489","0.0008","69.389","0.004","89.642","0.004","89.69","0.004","2829.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazolium Pyromellitate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium trihydrogen 1,2,4,5-Benzenetetracarboxylate","","- C32 H23 Cl N2 O8 -","- C32 H23 Cl N2 O8 -","- C128 H92 Cl4 N8 O32 -","4","2","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1314","0.0705","","","0.1596","0.2005","","","","","","1.029","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243476","8.8976","0.0004","12.8529","0.0007","13.9071","0.0007","102.931","0.004","98.041","0.004","106.569","0.004","1449.97","0.14","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-Dinitrobenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 3,5-Dinitrobenzoate","","- C31 H27 Cl N4 O7 -","- C31 H27 Cl N4 O7 -","- C62 H54 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0648","0.0482","","","0.1157","0.128","","","","","","1.03","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243477","23.728","0.003","13.165","0.002","30.085","0.006","90","","90","","90","","9398","3","175","2","175","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H12 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.0562","0.0456","","","0.1368","0.1425","","","","","","1.052","","","","has coordinates","268482","2021-09-04","19:55:38",""
"7243478","15.135","0.004","22.028","0.005","18.37","0.004","90","","101.248","0.004","90","","6007","2","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","2","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.085","0.044","","","0.111","0.119","","","","","","1.004","","","","has coordinates","268482","2021-09-04","19:55:39",""
"7243483","8.09","0.003","16.018","0.007","3.5317","0.0014","90","","101.284","0.004","90","","448.8","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 Ho O10 -","- B3 Ca4.0004 Ho0.9996 O10 -","- B6 Ca8.0008 Ho1.9992 O20 -","2","0.5","","Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang","Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal","CrystEngComm","2021","23","37","6574","6581","10.1039/D1CE00816A","","x-ray","0.71073","MoKα","","0.0292","0.0291","","","0.0777","0.0777","","","","","","1.063","","","","has coordinates,has disorder","269672","2021-10-06","14:49:41",""
"7243484","19.133","0.005","24.566","0.007","15.782","0.005","90","","108.873","0.006","90","","7019","4","100","2","100","2","","","","","","","Co-precipitation and slow evaporation","3","C 1 2 1","C 2y","5","Beta-cyclodextrin valproic acid 19.0 hydrate","'5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 2-propylpentanoic acid 19.9 hydrate'","","- C100 H210 O93 -","- C84 H130 O89.184 -","- C168 H260 O178.368 -","2","0.5","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.132","0.0997","","","0.2742","0.3047","","","","","","1.12","","","","has coordinates","269670","2021-10-06","14:48:45",""
"7243485","10.396","0.002","15.111","0.003","25.494","0.005","83.247","0.004","81.556","0.004","89.475","0.004","3933.9","1.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","DIMEB valproic acid clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin 2-propylpentanoic acidhydrate (2:2:3.9)","","- C129 H237.8 O77.88 -","- C129 H226 O77.87 -","- C129 H226 O77.87 -","1","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1494","0.1055","","","0.2904","0.3294","","","","","","1.186","","","","has coordinates","269670","2021-10-06","14:48:57",""
"7243486","15.337","0.003","20.728","0.004","23.104","0.005","90","","90","","90","","7345","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","permethylated alpha-cyclodextrin valproic acid hydrate","hexakis-(2,3,6-tri-O-methyl)-cyclomaltohexaose 2-propylpentanoic acid clathrate hydrate","","- C62 H114.4 O33.2 -","- C62 H112 O32.5 -","- C248 H448 O130 -","4","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1342","0.0676","","","0.1482","0.1761","","","","","","1.016","","","","has coordinates,has disorder","269670","2021-10-06","14:49:00",""
"7243487","23.745","0.004","23.745","0.004","23.1","0.005","90","","90","","90","","13024","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate","tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate","","- C176 H402 O177 -","- C144 H216 O155.88 -","- C288 H432 O311.76 -","2","0.25","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1554","0.1431","","","0.4024","0.4101","","","","","","1.73","","","","has coordinates","269670","2021-10-06","14:49:10",""
"7243488","13.5174","0.0003","13.5174","0.0003","14.9399","0.0003","90","","90","","90","","2729.82","0.1","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.","The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals","CrystEngComm","2021","23","37","6599","6609","10.1039/D1CE00556A","","x-ray","0.71073","MoKα","","0.0393","0.0285","","","0.0614","0.0644","","","","1.7897","1.7897","1.6973","","","","has coordinates","269673","2021-10-06","14:49:48",""
"7243489","15.186","0.003","15.21","0.003","26.964","0.005","91.53","0.03","102.04","0.03","91.69","0.03","6085","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","catena-[(m-N,N''-(biphenyl-4,4'-diyl)diisonicotinamide)-bis(m-biphenyl-4,4'-dicarboxylato)-di-zinc(ii)guest N,N-dimethylformamide solvate]","","- C94 H83 N8 O18 Zn3 -","- C94 H83 N8 O18 Zn3 -","- C188 H166 N16 O36 Zn6 -","2","1","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","Synchrotron","","0.0713","0.0705","","","0.2002","0.2007","","","","","","1.044","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243490","21.473","0.005","21.553","0.0009","26.886","0.002","94.896","0.003","102.406","0.008","89.986","0.014","12106","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C521.4 H529.2 N35.8 O89.2 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","","","0.0589","0.0534","","","0.1407","0.1462","","","","","","1.038","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243491","15.263","0.003","30.497","0.006","26.95","0.005","89.2","0.03","82.16","0.03","87.8","0.03","12418","4","100","","100.15","","","","","","","","","5","P -1","-P 1","2","PUM168@propofol","","","- C126.62 H125.75 N7.62 O20.25 Zn3 -","- C126.625 H125.75 N7.625 O20.25 Zn3 -","- C506.5 H503 N30.5 O81 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","synchrotron","","0.0918","0.0898","","","0.2695","0.2716","","","","","","1.042","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243492","7.3212","0.0014","9.9861","0.0019","19.292","0.003","78.231","0.012","89.49","0.013","77.581","0.013","1347.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H15 N6 -","- C39 H15 N6 -","- C78 H30 N12 -","2","1","","Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong","Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph","CrystEngComm","2021","23","40","7132","7140","10.1039/D1CE00741F","","","0.71073","MoKα","","0.1582","0.0663","","","0.1465","0.1955","","","","","","0.985","","","","has coordinates","270441","2021-11-06","19:56:27",""
"7243497","7.385","0.003","7.98","0.003","8.186","0.003","65.269","0.008","89.12","0.009","70.156","0.009","407.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Co0.5 N3 O4 -","- C6 H7 Co0.5 N3 O4 -","- C12 H14 Co N6 O8 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.1023","0.0853","","","0.2255","0.2435","","","","","","1.049","","","","has coordinates","270412","2021-11-06","19:47:44",""
"7243498","7.1998","0.0011","10.346","0.0016","12.6281","0.0019","73.713","0.003","84.815","0.003","79.798","0.003","887.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.0464","0.0394","","","0.0964","0.0992","","","","","","1.064","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243499","10.3709","0.0007","10.4034","0.0008","13.8572","0.0009","71.806","0.006","86.047","0.006","88.735","0.006","1416.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","x-ray","0.71073","MoKα","","0.0758","0.0523","","","0.142","0.1571","","","","","","1.003","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243509","16.8468","0.0003","20.5523","0.0004","8.3102","0.0002","90","","90.541","0.002","90","","2877.2","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Li N4 O8 -","- C28 H36 Li N4 O8 -","- C112 H144 Li4 N16 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","1.54178","CuKα","K-L~3~","0.0554","0.0388","","","0.0929","0.1014","","","","","","1.03","","","","has coordinates,has disorder","270446","2021-11-06","19:58:57",""
"7243510","8.0221","0.0002","13.6455","0.0003","18.3816","0.0005","80.507","0.002","85.505","0.002","85.457","0.002","1973.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 K N8 O8 -","- C40 H40 K N8 O8 -","- C80 H80 K2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0597","0.0405","","","0.0976","0.1042","","","","","","1.06","","","","has coordinates","270446","2021-11-06","19:58:59",""
"7243511","8.1103","0.0002","13.6858","0.0004","17.7029","0.0005","78.737","0.002","86.244","0.002","85.714","0.002","1919.11","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N8 Na O8 -","- C40 H40 N8 Na O8 -","- C80 H80 N16 Na2 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0583","0.0375","","","0.0879","0.0946","","","","","","1.037","","","","has coordinates","270446","2021-11-06","19:59:02",""
"7243512","17.191","0.002","20.518","0.002","8.3079","0.0009","90","","90.131","0.006","90","","2930.4","0.5","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 Na O8 -","- C28 H36 N4 Na O8 -","- C112 H144 N16 Na4 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","","0.71075","MoKα","K-L~2,3~","0.1905","0.0839","","","0.1982","0.2922","","","","","","1.016","","","","has coordinates,has disorder","270446","2021-11-06","19:59:04",""
"7243513","8.2066","0.0004","13.7299","0.0006","17.8792","0.0008","72.441","0.004","83.006","0.004","86.623","0.004","1905.87","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Li N8 O8 -","- C40 H40 Li N8 O8 -","- C80 H80 Li2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.1237","0.0529","","","0.0987","0.1151","","","","","","0.995","","","","has coordinates","270446","2021-11-06","19:59:04",""
"7243514","6.869","0.003","9.873","0.004","15.041","0.006","90","","90","","90","","1020","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs H2 Mn O10 V3 -","- Cs H2 Mn O10 V3 -","- Cs4 H8 Mn4 O40 V12 -","4","0.5","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0219","0.0191","","","0.0501","0.0517","","","","","","1.005","","","","has coordinates","270431","2021-11-06","19:52:04",""
"7243515","13.569","0.0003","13.569","0.0003","8.5361","0.0004","90","","90","","90","","1571.65","0.09","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cs4.34 H5.93 Mn1.83 O26.97 V8 -","- Cs4.3412 H5.9288 Mn1.8288 O26.9644 V8 -","- Cs8.6824 H11.8576 Mn3.6576 O53.9288 V16 -","2","0.125","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0202","0.0192","","","0.04","0.0406","","","","","","1.172","","","","has coordinates,has disorder","270431","2021-11-06","19:52:07",""
"7243516","10.7972","0.0005","13.496","0.0006","13.6852","0.0007","62.208","0.005","86.974","0.004","67.181","0.004","1605.91","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Ag2 B2 F8 N8 S4 -","- C20 H28 Ag2 B2 F8 N8 S4 -","- C40 H56 Ag4 B4 F16 N16 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","0.71073","MoKα","","0.0538","0.0413","","","0.1232","0.1317","","","","","","1.167","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243517","10.0969","0.0005","18.6753","0.0008","7.9739","0.0003","90","","92.264","0.001","90","","1502.41","0.11","102","2","102","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","AB160","","","- C10 H14 Ag Cl N4 O4 S2 -","- C10 H14 Ag Cl N4 O4 S2 -","- C40 H56 Ag4 Cl4 N16 O16 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","","0.71073","MoKα","","0.0361","0.0318","","","0.0723","0.0751","","","","","","1.113","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243518","12.0332","0.0006","6.5856","0.0004","22.1176","0.0011","90","","102.28","0.005","90","","1712.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Ag2 N6 O6 S2 -","- C10 H14 Ag2 N6 O6 S2 -","- C40 H56 Ag8 N24 O24 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0881","0.0773","","","0.1936","0.2055","","","","","","1.049","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243519","8.7766","0.0005","10.4029","0.0008","11.8505","0.0009","86.302","0.006","81.916","0.006","86.791","0.006","1067.79","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O6 S4 -","- C12 H14 Ag2 F6 N4 O6 S4 -","- C24 H28 Ag4 F12 N8 O12 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0459","0.0362","","","0.0887","0.0958","","","","","","1.02","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243520","16.532","0.0015","11.115","0.0007","27.2509","0.0018","90","","99.442","0.008","90","","4939.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag3 F18 N12 P3 S6 -","- C30 H42 Ag3 F18 N12 P3 S6 -","- C120 H168 Ag12 F72 N48 P12 S24 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.1129","0.077","","","0.197","0.2273","","","","","","0.977","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243521","28.89","0.004","5.5858","0.0008","28.523","0.003","90","","104.4","0.02","90","","4458.3","1.1","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F42 I2 N4 O -","- C32 H8 F42 I2 N4 O -","- C128 H32 F168 I8 N16 O4 -","4","1","","Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals","CrystEngComm","2021","23","41","7324","7333","10.1039/D1CE01001H","","","0.71073","MoKα","","0.1009","0.0493","","","0.0924","0.1095","","","","","","1.037","","","","has coordinates,has disorder","270413","2021-11-06","19:47:53",""
"7243534","8.6398","0.0005","19.4072","0.001","10.7039","0.0006","90","","101.237","0.003","90","","1760.36","0.17","99.87","","99.87","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-iodophenyl)quinoxaline","","- C20 H12 I2 N2 -","- C20 H12 I2 N2 -","- C80 H48 I8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0854","0.0461","","","0.0947","0.1067","","","","","","1.022","","","","has coordinates","270437","2021-11-06","19:55:09",""
"7243535","13.368","0.003","7.5374","0.0012","16.175","0.004","90","","104.64","0.009","90","","1576.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-chlorophenyl)quinoxaline","","- C20 H12 Cl2 N2 -","- C20 H12 Cl2 N2 -","- C80 H48 Cl8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0917","0.045","","","0.0847","0.1008","","","","","","1.012","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243536","12.7621","0.0018","7.6916","0.0009","15.439","0.002","90","","101.23","0.007","90","","1486.5","0.3","99.82","","99.82","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-fluorophenyl)quinoxaline","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C80 H48 F8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1424","0.0592","","","0.1002","0.1237","","","","","","1.018","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243537","12.313","0.004","7.563","0.002","17.916","0.005","90","","102.333","0.011","90","","1629.9","0.8","99.78","","99.78","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-di-m-tolylquinoxaline","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1509","0.085","","","0.2017","0.2449","","","","","","1.036","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243538","6.2638","0.0003","10.7726","0.0004","12.388","0.0004","111.317","0.003","96.567","0.003","105.524","0.004","729.15","0.06","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cd N2 O5 S -","- C15 H13 Cd N2 O5 S -","- C30 H26 Cd2 N4 O10 S2 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0545","0.0549","","","","","","1.128","","","","has coordinates","270425","2021-11-06","19:50:58",""
"7243539","7.5153","0.0006","9.8544","0.0008","10.3104","0.0009","62.368","0.008","76.205","0.007","67.714","0.007","624.13","0.1","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cd N O4 -","- C14 H10 Cd N2 O4 -","- C28 H20 Cd2 N4 O8 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.0776","0.0797","","","","","","1.074","","","","has coordinates","270425","2021-11-06","19:50:59",""
"7243540","9.4083","0.0016","13.686","0.002","18.288","0.003","90","","99.846","0.005","90","","2320.1","0.6","150","2","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 N7 O13 Zn2 -","- C39 H37 N7 O13 Zn2 -","- C78 H74 N14 O26 Zn4 -","2","0.5","","Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu","A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72−","CrystEngComm","2021","23","43","7643","7649","10.1039/D1CE01095F","","","0.71073","MoKα","","0.0975","0.0704","","","0.1988","0.221","","","","","","1.114","","","","has coordinates","271168","2021-12-07","03:05:30",""
"7243541","10.3931","0.0014","16.027","0.002","14.996","0.002","90","","98.243","0.002","90","","2472.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.1085","0.0655","","","0.1677","0.1878","","","","","","1.042","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243542","10.4014","0.0011","16.133","0.0017","14.6878","0.0015","90","","98.482","0.002","90","","2437.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0749","0.043","","","0.0959","0.1071","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243543","10.114","0.003","16.501","0.004","14.7","0.004","90","","97.159","0.004","90","","2434.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co I1.6 N2 O4 -","- C24 H16 Co I1.6 N2 O4 -","- C96 H64 Co4 I6.4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0934","0.0687","","","0.1838","0.1956","","","","","","1.11","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243544","10.2197","0.0005","16.1263","0.0008","14.8826","0.0007","90","","98.059","0.002","90","","2428.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16.5 N2 O4.25 Zn -","- C24 H16 N2 O4.25 Zn -","- C96 H64 N8 O17 Zn4 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0715","0.0508","","","0.1329","0.1459","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243546","27.0844","0.0011","27.0844","0.0011","22.219","0.002","90","","90","","120","","14115.4","1.5","297","","297","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O4 -","- C22 H14 Co N2 O4 -","- C396 H252 Co18 N36 O72 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0914","0.0651","","","0.1736","0.1891","","","","","","1.035","","","","has coordinates","271167","2021-12-07","03:05:20",""
"7243547","25.1587","0.0007","12.6586","0.0003","16.9319","0.0005","90","","102.447","0.003","90","","5265.6","0.3","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 Co N3 O5 -","- C29 H18 Co N3 O5 -","- C232 H144 Co8 N24 O40 -","8","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0872","0.0605","","","0.1564","0.1741","","","","","","1.037","","","","has coordinates,has disorder","271167","2021-12-07","03:05:21",""
"7243548","10.1206","0.0003","13.677","0.0005","15.8965","0.0005","70.383","0.001","78.221","0.001","83.458","0.001","2026.56","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","1","0.5","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0293","0.0269","","","0.0853","0.087","","","","","","1.08","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243549","27.0648","0.0013","27.0648","0.0013","22.965","0.003","90","","90","","120","","14568","2","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O5 -","- C22 H13 Co N2 O5 -","- C396 H234 Co18 N36 O90 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0672","0.0559","","","0.1498","0.1585","","","","","","1.04","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243550","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","270443","2021-11-06","19:57:22",""
"7243551","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243552","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243553","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243554","12.1233","0.0004","8.2762","0.0003","11.5289","0.0004","90","","99.076","0.001","90","","1142.27","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K2 N10 O5 -","- C4 H2 K2 N10 O5 -","- C16 H8 K8 N40 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0566","0.0467","","","0.1109","0.1196","","","","","","1.041","","","","has coordinates","271165","2021-12-07","03:03:46",""
"7243555","12.6801","0.0005","8.2805","0.0003","11.665","0.0005","90","","97.819","0.002","90","","1213.41","0.08","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0705","0.0499","","","0.0975","0.1061","","","","","","1.086","","","","has coordinates","271165","2021-12-07","03:03:57",""
"7243556","9.4839","0.0005","9.0436","0.0005","22.4984","0.0013","90","","90","","90","","1929.66","0.18","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C32 H32 N80 O40 -","8","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.1104","0.0472","","","0.0964","0.1313","","","","","","1.142","","","","has coordinates","271165","2021-12-07","03:04:07",""
"7243561","11.1487","0.0004","11.1487","0.0004","20.6785","0.0015","90","","90","","120","","2225.9","0.2","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B12 H12 Na O27 Rb5 -","- B12 H12 Na O27 Rb4.9998 -","- B36 H36 Na3 O81 Rb14.9994 -","3","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0266","0.0254","","","0.0678","0.0683","","","","","","1.125","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243562","9.154","0.0005","6.6585","0.0004","18.6325","0.0011","90","","117.594","0.002","90","","1006.5","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H4 O22 Rb4 -","- B12 H4 O22 Rb4 -","- B24 H8 O44 Rb8 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0387","0.0292","","","0.0651","0.0682","","","","","","1.095","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243563","9.058","0.003","6.62","0.002","18.294","0.006","90","","117.603","0.007","90","","972.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B12 Ba H4 O22 Rb2 -","- B12 Ba H4 O22 Rb2 -","- B24 Ba2 H8 O44 Rb4 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0732","0.052","","","0.1353","0.1458","","","","","","1.05","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243564","8.5942","0.0009","7.6284","0.0008","13.1321","0.0014","90","","90","","90","","860.94","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B5 H O9 Rb2 -","- B5 H O9 Rb2 -","- B20 H4 O36 Rb8 -","4","1","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0267","0.0223","","","0.0439","0.0449","","","","","","0.927","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243565","12.3596","0.0011","12.3596","0.0011","12.3596","0.0011","90","","90","","90","","1888","0.3","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- B12 H3 Na2 O21 Rb -","- B12 Na2 O20.9996 Rb -","- B48 Na8 O83.9984 Rb4 -","4","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0431","0.0339","","","0.093","0.1006","","","","","","1.121","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243566","9.76","0.004","10.85","0.004","15.146","0.005","98.37","0.017","96.251","0.017","103.375","0.017","1526.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0839","0.0527","","","0.1425","0.161","","","","","","1.053","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243567","9.83","0.003","10.658","0.003","15.343","0.004","96.197","0.01","96.104","0.011","105.604","0.011","1523.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0949","0.0462","","","0.1306","0.1544","","","","","","1.065","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243568","10.3172","0.0019","12.742","0.002","13.082","0.002","67.795","0.009","71.424","0.008","72.877","0.009","1479.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0701","0.0459","","","0.1167","0.1341","","","","","","1.023","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243569","9.8151","0.0004","10.9036","0.0005","14.5415","0.0006","94.486","0.002","97.7538","0.0019","104.653","0.0019","1481.57","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0562","0.0429","","","0.1099","0.1195","","","","","","1.03","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243575","11.9737","0.0006","11.9737","0.0006","17.3326","0.0013","90","","90","","90","","2485","0.3","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.42(4)Gd0.58Sb9.69(1)","","- Ca10.42 Gd0.58 Sb9.69 -","- Ca10.42 Gd0.58 Sb9.692 -","- Ca41.68 Gd2.32 Sb38.768 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0629","0.0329","","","0.057","0.0655","","","","","","1.08","","","","has coordinates","270439","2021-11-06","19:56:09",""
"7243576","11.9875","0.0017","11.9875","0.0017","17.36","0.003","90","","90","","90","","2494.6","0.7","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.63(2)Gd0.37Sb9.74(1)","","- Ca10.63 Gd0.37 Sb9.74 -","- Ca10.63 Gd0.37 Sb9.74 -","- Ca42.52 Gd1.48 Sb38.96 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.61","synchrotron","","0.0327","0.0315","","","0.0908","0.0916","","","","","","1.112","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243577","11.985","0.0006","11.985","0.0006","17.2845","0.0011","90","","90","","90","","2482.7","0.2","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.64(2)Gd0.36Sb9.63(1)","","- Ca10.64 Gd0.36 Sb9.63 -","- Ca10.644 Gd0.356 Sb9.634 -","- Ca42.576 Gd1.424 Sb38.536 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0355","0.0274","","","0.0558","0.0595","","","","","","1.058","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243578","21.8237","0.0009","6.3425","0.0002","23.2717","0.0009","90","","112.529","0.004","90","","2975.4","0.2","113.15","","113.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","x-ray","0.71073","MoKα","","0.0695","0.0565","","","0.1375","0.1512","","","","","","1.031","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243579","25.2663","0.0009","6.3994","0.0002","22.1324","0.0008","90","","120.785","0.001","90","","3074.33","0.19","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","1.34139","GaKα","","0.0396","0.0394","","","0.1137","0.114","","","","","","1.066","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243580","25.321","0.006","6.4135","0.0015","22.097","0.005","90","","121.404","0.003","90","","3062.8","1.2","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.25 N O7.12 S2 -","- C31 H37.25 N O7.125 S2 -","- C124 H149 N4 O28.5 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.0948","0.0525","","","0.1119","0.1288","","","","","","0.991","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243581","25.208","0.002","6.3747","0.0006","21.98","0.002","90","","121.001","0.001","90","","3027.5","0.5","393","1","393","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1712","0.0716","","","0.199","0.2627","","","","","","0.934","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243582","25.2658","0.0018","6.3976","0.0005","22.0858","0.0016","90","","121.138","0.001","90","","3055.6","0.4","353","1","353","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.5 N O7.25 S2 -","- C31 H37.5 N O7.25 S2 -","- C124 H150 N4 O29 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1013","0.0858","","","0.2633","0.2855","","","","","","1.058","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243583","17.714","0.01","17.989","0.01","15.344","0.011","90","","105.098","0.01","90","","4721","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co N4 O6 -","- C27 H20 Co N4 O6 -","- C216 H160 Co8 N32 O48 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0771","0.0444","","","0.1216","0.1445","","","","","","0.839","","","","has coordinates","270424","2021-11-06","19:50:51",""
"7243584","12.6009","0.0007","30.1566","0.0012","13.5693","0.0008","90","","107.237","0.006","90","","4924.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21 Co N3 O5 -","- C28.5 H21 Co N3 O5 -","- C228 H168 Co8 N24 O40 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0824","0.0519","","","0.1159","0.1274","","","","","","1.037","","","","has coordinates","270424","2021-11-06","19:50:52",""
"7243585","19.937","0.005","19.937","0.005","6.4202","0.0016","90","","90","","90","","2551.9","1.1","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C128 H64 N32 Nd2 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0785","0.0647","","","0.3028","0.3147","","","","","","1.399","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243586","28.086","0.003","14.16","0.002","13.1416","0.0014","90","","115.708","0.01","90","","4709.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0617","0.0462","","","0.093","0.0996","","","","","","1.038","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243587","28.1354","0.0006","22.945","0.0006","7.8933","0.0002","90","","90","","90","","5095.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C65 H34 Cl2 N16 Sm -","- C65 H34 Cl2 N16 Sm -","- C260 H136 Cl8 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0446","0.031","","","0.081","0.0944","","","","","","0.876","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243588","19.9227","0.0006","19.9227","0.0006","6.3925","0.0004","90","","90","","90","","2537.27","0.19","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)","","- C64 H32 La N16 -","- C64 H32 La N16 -","- C128 H64 La2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0948","0.0803","","","0.2442","0.2526","","","","","","1.932","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243589","8.8412","0.0014","10.5892","0.0015","50.762","0.008","90","","90","","90","","4752.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0585","0.0539","","","0.1287","0.1305","","","","","","1.197","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243590","28.0851","0.0016","22.9636","0.0013","7.8897","0.0004","90","","90","","90","","5088.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C65 H34 Cl2 N16 Nd -","- C65 H34 Cl2 N16 Nd -","- C260 H136 Cl8 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0396","0.0266","","","0.0588","0.0646","","","","","","1.043","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243591","28.356","0.003","22.882","0.003","8.046","0.001","90","","90","","90","","5220.6","1.1","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C65 H34 Cl2 Gd N16 -","- C65 H34 Cl2 Gd N16 -","- C260 H136 Cl8 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0849","0.0445","","","0.0857","0.0987","","","","","","1.02","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243592","8.8171","0.0011","10.5671","0.0012","50.648","0.006","90","","90","","90","","4718.9","1","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0535","0.0457","","","0.0812","0.0833","","","","","","1.116","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243593","28.01","0.003","22.923","0.003","7.8994","0.001","90","","90","","90","","5072","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(II)","","- C65 H34 Cl2 Dy N16 -","- C65 H34 Cl2 Dy N16 -","- C260 H136 Cl8 Dy4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0729","0.0421","","","0.0801","0.089","","","","","","1.036","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243594","27.955","0.006","22.921","0.005","7.8802","0.0017","90","","90","","90","","5049.3","1.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyaninato-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C65 H34 Cl2 N16 Yb -","- C65 H34 Cl2 N16 Yb -","- C260 H136 Cl8 N64 Yb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0949","0.0498","","","0.1081","0.1282","","","","","","0.972","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243595","8.8136","0.0006","10.5756","0.0007","50.713","0.003","90","","90","","90","","4726.9","0.5","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato) Tb(III)","(phthalocyaninato)-(phthalocyaninato-radical) terbium (III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0567","0.0501","","","0.0815","0.0832","","","","","","1.184","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243596","8.7901","0.0006","10.5965","0.0012","50.568","0.004","90","","90","","90","","4710.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C64 H32 N16 Yb -","- C64 H32 N16 Yb -","- C256 H128 N64 Yb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.045","0.041","","","0.117","0.1199","","","","","","0.873","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243597","19.548","0.004","19.548","0.004","6.477","0.002","90","0.03","90","0.03","90","0.03","2475","1","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato) dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C128 H64 Dy2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0702","0.07","","","0.1907","0.1909","","","","","","1.509","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243598","28.0409","0.0009","22.944","0.0007","7.8783","0.0002","90","","90","","90","","5068.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lanthanum(III)","","- C65 H34 Cl2 La N16 -","- C65 H34 Cl2 La N16 -","- C260 H136 Cl8 La4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0382","0.0301","","","0.0763","0.0797","","","","","","1.073","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243599","28.103","0.003","14.1751","0.0013","13.1851","0.0012","90","","115.596","0.002","90","","4737","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(bis)phthalocyanine neodymium","(phthalocyaninato)-phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","","0.71073","MoKα","","0.0522","0.0355","","","0.0671","0.0725","","","","","","1.014","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243600","28.1112","0.0014","14.2031","0.0012","13.1654","0.0005","90","","115.574","0.002","90","","4741.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0181","0.0173","","","0.0471","0.0476","","","","","","1.098","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243601","28.016","0.003","22.942","0.003","7.8678","0.0007","90","","90","","90","","5057","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-erbium","(phthalocyaninato)-(phthalocyaninato-radical)-erbium(III)","","- C65 H34 Cl2 Er N16 -","- C65 H34 Cl2 Er N16 -","- C260 H136 Cl8 Er4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0657","0.046","","","0.0856","0.0928","","","","","","1.028","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243602","28.106","0.003","14.1593","0.001","13.1975","0.0008","90","","115.551","0.004","90","","4738.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-Pr","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C64 H32 N16 Pr -","- C64 H32 N16 Pr -","- C256 H128 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0323","0.0268","","","0.0684","0.0721","","","","","","0.829","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243603","8.8201","0.0002","10.6092","0.0003","50.7567","0.0011","90","","90","","90","","4749.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium (III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0467","0.038","","","0.0599","0.0619","","","","","","1.087","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243604","28.125","0.003","14.1663","0.0014","13.1416","0.0014","90","","115.688","0.004","90","","4718.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0622","0.0512","","","0.0955","0.0984","","","","","","1.2","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243605","28.0516","0.0007","22.9642","0.0008","7.8827","0.0002","90","","90","","90","","5077.9","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C65 H34 Cl2 N16 Tb -","- C65 H34 Cl2 N16 Tb -","- C260 H136 Cl8 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.029","0.0239","","","0.0596","0.062","","","","","","1.046","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243606","8.852","0.002","10.604","0.002","50.844","0.012","90","","90","","90","","4772.6","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis)phthalocyanine neodymium","[phthalocyaninato]-[phthalocyaninato-radical]neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0345","0.0307","","","0.072","0.0739","","","","","","0.859","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243607","28.1128","0.0016","22.9663","0.0014","7.8883","0.0005","90","","90","","90","","5093.1","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-praseodymium","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C65 H34 Cl2 N16 Pr -","- C65 H34 Cl2 N16 Pr -","- C260 H136 Cl8 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0708","0.0752","","","","","","1.067","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243608","3.8492","0.0008","25.618","0.005","15.127","0.003","90","","96.92","0.03","90","","1480.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl2 N3 O4 -","- C13 H11 Cl2 N3 O4 -","- C52 H44 Cl8 N12 O16 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.1424","0.0759","","","0.1509","0.1808","","","","","","0.951","","","","has coordinates","271163","2021-12-07","02:56:51",""
"7243609","11.1527","0.0007","5.1499","0.0003","24.1986","0.0012","90","","94.245","0.005","90","","1386.04","0.14","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.1008","0.0616","","","0.1277","0.1488","","","","","","1.039","","","","has coordinates","271163","2021-12-07","02:58:42",""
"7243610","4.9189","0.0002","12.7069","0.0004","19.7761","0.0007","90","","90.777","0.003","90","","1235.97","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.0624","0.0444","","","0.0924","0.1015","","","","","","1.051","","","","has coordinates","271163","2021-12-07","02:59:09",""
"7243611","10.5164","0.0003","5.3915","0.0002","24.4188","0.0008","90","","90.966","0.003","90","","1384.33","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.0619","0.0467","","","0.1066","0.1172","","","","","","1.036","","","","has coordinates","271163","2021-12-07","02:59:42",""
"7243612","3.9581","0.0002","10.518","0.0006","17.6996","0.001","79.048","0.005","84.886","0.004","85.843","0.004","719.39","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O4 -","- C14 H12 Cl2 N2 O4 -","- C28 H24 Cl4 N4 O8 -","2","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.052","0.0412","","","0.0987","0.1073","","","","","","1.047","","","","has coordinates","271163","2021-12-07","03:00:18",""
"7243615","18.3597","0.0008","30.8839","0.0013","11.3262","0.0004","90","","90","","90","","6422.2","0.5","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn-MOF","","- C16 H21 N2 O6 Zn -","- C16 H21 N2 O6 Zn -","- C128 H168 N16 O48 Zn8 -","8","1","","Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui","Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection","CrystEngComm","2021","23","42","7442","7449","10.1039/D1CE00931A","","x-ray","1.54184","CuKα","","0.0772","0.07","","","0.1844","0.1901","","","","","","1.079","","","","has coordinates","270418","2021-11-06","19:49:37",""
"7243616","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243617","7.8667","0.0004","16.1141","0.0006","21.1102","0.0014","90","","90.836","0.005","90","","2675.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ga N O11 P -","- C8 H9 Ga N O11 P -","- C64 H72 Ga8 N8 O88 P8 -","8","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","0.71073","MoKα","","0.0484","0.0393","","","0.0916","0.0965","","","","","","1.07","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243622","39.9546","0.0006","39.9546","0.0006","39.9546","0.0006","90","","90","","90","","63782.3","1.7","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C172 H352 N24 O117 Pt4 S4 -","- C104 H80 N24 O29.3333 Pt4 S3.33333 -","- C1248 H960 N288 O352 Pt48 S40 -","12","0.25","","Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi","A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite","CrystEngComm","2021","23","43","7691","7697","10.1039/D1CE00994J","","","0.71075","MoKα","","0.2014","0.0664","","","0.1466","0.2012","","","","","","0.983","","","","has coordinates","271166","2021-12-07","03:04:43",""
"7243623","27.0123","0.0016","21.1322","0.0011","11.5913","0.0006","90","","90","","90","","6616.7","0.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H30 Eu N2 O19.5 -","- C28 H15 Eu N2 O12 -","- C224 H120 Eu8 N16 O96 -","8","1","","Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei","The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution","CrystEngComm","2021","23","43","7581","7589","10.1039/D1CE01192H","","","0.71073","MoKα","","0.0401","0.0266","","","0.0571","0.0628","","","","","","1.041","","","","has coordinates","271164","2021-12-07","03:02:46",""
"7243631","10.6218","0.0008","11.3383","0.0008","12.3181","0.0009","68.588","0.002","88.724","0.002","85.755","0.002","1377.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0522","0.0517","","","0.2067","0.2071","","","","","","1.075","","","","has coordinates,has disorder","270444","2021-11-06","19:57:36",""
"7243632","7.803","0.002","11.554","0.003","15.741","0.004","72.604","0.005","89.478","0.005","83.484","0.005","1345","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0402","0.0334","","","0.1002","0.1356","","","","","","1.049","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243633","11.3807","0.0008","11.6442","0.0008","13.1925","0.0009","83.978","0.003","66.041","0.003","86.807","0.003","1588.64","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0458","0.0378","","","0.0939","0.0976","","","","","","1.036","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243634","6.588","0.0003","14.1875","0.0007","15.2526","0.0007","64.022","0.002","82.732","0.002","85.997","0.002","1271.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0431","0.041","","","0.1215","0.1233","","","","","","1.068","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243635","6.5928","0.0011","14.239","0.002","15.231","0.003","63.995","0.005","82.597","0.005","85.988","0.005","1274.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0538","0.0508","","","0.1525","0.1582","","","","","","1.082","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243636","32.1757","0.0018","32.1757","0.0018","13.5257","0.0011","90","","90","","120","","12126.8","1.4","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","1","0.0833333","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","","1.54184","CuKα","","0.2253","0.1534","","","0.323","0.3443","","","","","","1.032","","","","has coordinates,has disorder","270442","2021-11-06","19:56:52",""
"7243637","21.5046","0.0017","16.0447","0.0006","23.0476","0.0014","90","","115.557","0.009","90","","7174.2","0.9","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H110 Cu8 I8 N10 O16 S8 -","- C124 H110 Cu8 I8 N10 O16 S8 -","- C248 H220 Cu16 I16 N20 O32 S16 -","2","0.5","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","x-ray","0.71073","MoKα","","0.1169","0.0605","","","0.0987","0.1265","","","","","","0.9434","","","","has coordinates","270442","2021-11-06","19:56:53",""
"7243638","18.1803","0.0007","9.4604","0.0003","9.0591","0.0003","90","","99.762","0.004","90","","1535.54","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu Fe N2 S2 -","- C15 H15 Cu Fe N2 S2 -","- C60 H60 Cu4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0522","0.0376","","","0.0718","0.0775","","","","","","1.046","","","","has coordinates","271158","2021-12-07","02:53:16",""
"7243639","18.0463","0.0004","9.80453","0.00019","9.3793","0.0002","90","","100.689","0.002","90","","1630.74","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Fe N2 S2 -","- C15 H15 Ag Fe N2 S2 -","- C60 H60 Ag4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0341","0.0287","","","0.0568","0.0586","","","","","","1.147","","","","has coordinates","271158","2021-12-07","02:53:19",""
"7243640","5.9876","0.0003","17.204","0.0008","17.2608","0.0008","89.062","0.008","84.677","0.008","87.989","0.007","1769.13","0.15","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C58 H62 Cl6 Cu4 Fe4 I4 N4 S8 -","2","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0636","0.0486","","","0.0966","0.1018","","","","","","1.122","","","","has coordinates","271158","2021-12-07","02:53:29",""
"7243652","4.57964","0.00007","5.58662","0.00008","4.9692","0.00007","90","","90","","90","","127.136","0.003","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe2.667 O8 W1.333 -","- Fe2.6668 O8 W1.3332 -","- Fe2.6668 O8 W1.3332 -","1","0.125","","Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry","Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations","CrystEngComm","2021","23","41","7298","7304","10.1039/D1CE00916H","powder diffraction","x-ray","1.54186","","","0.0417","0.0381","","0.0449","0.0442","","","","1.33","","","","","","","has coordinates","270416","2021-11-06","19:48:23",""
"7243653","9.8424","0.0018","9.9803","0.0019","10.836","0.002","95.012","0.008","109.791","0.008","107.971","0.008","930.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O9 -","- C18 H19 Co N2 O9 -","- C36 H38 Co2 N4 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0776","0.0812","","","","","","1.052","","","","has coordinates","270420","2021-11-06","19:50:13",""
"7243654","10.4474","0.0009","12.2491","0.001","13.1227","0.0011","77.35","0.005","76.486","0.005","74.932","0.005","1554.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co N4 O8 -","- C30 H38 Co N4 O8 -","- C60 H76 Co2 N8 O16 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0865","0.0477","","","0.1103","0.1235","","","","","","1.03","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243655","10.4957","0.0003","10.1234","0.0003","16.807","0.0005","90","","106.706","0.002","90","","1710.41","0.09","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Co N3 O6 -","- C17 H18 Co N3 O6 -","- C68 H72 Co4 N12 O24 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0773","0.0479","","","0.1293","0.147","","","","","","1.039","","","","has coordinates","270420","2021-11-06","19:50:14",""
"7243656","9.1047","0.0007","11.1545","0.0008","22.7393","0.0017","99.678","0.004","93.31","0.004","106.073","0.004","2174.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co1.5 N6 O17 -","- C36 H50 Co1.5 N6 O17 -","- C72 H100 Co3 N12 O34 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0622","0.0492","","","0.1493","0.1582","","","","","","1.055","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243657","22.271","0.002","22.271","0.002","12.529","0.0016","90","","90","","90","","6214.4","1.1","295","2","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Ni4AQ","","- C124 H108 N4 Ni O8 -","- C124 H108 N4 Ni O8 -","- C248 H216 N8 Ni2 O16 -","2","0.25","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","","1.54178","CuKα","","0.1197","0.0972","","","0.2893","0.3111","","","","","","1.189","","","","has coordinates,has disorder","271162","2021-12-07","02:55:25",""
"7243658","20.4751","0.0003","20.4751","0.0003","13.4593","0.001","90","","90","","90","","5642.5","0.4","100","0.1","100","0.1","","","","","","","","5","P -4","P -4","81","","Ni4TQ","","- C140.3 H117.1 N4 Ni O8 -","- C140.304 H117.112 N4 Ni O8 -","- C280.608 H234.224 N8 Ni2 O16 -","2","0.5","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","x-ray","1.54184","CuKα","","0.0909","0.0708","","","0.1993","0.2207","","","","","","1.059","","","","has coordinates,has disorder","271162","2021-12-07","02:55:37",""
"7243659","7.3361","0.0004","11.8575","0.0007","12.8075","0.0008","70.641","0.002","78.588","0.002","76.401","0.002","1012.86","0.1","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N7 O2 S -","- C21 H23 N7 O2 S -","- C42 H46 N14 O4 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1237","0.0756","","","0.1675","0.1936","","","","","","1.037","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243660","16.2967","0.0012","8.5063","0.0005","21.3502","0.0014","90","","108.21","0.002","90","","2811.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N7 O6 S -","- C28 H31 N7 O6 S -","- C112 H124 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1427","0.0729","","","0.1651","0.2041","","","","","","1.049","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243661","8.6083","0.0006","21.2446","0.0019","33.276","0.003","90","","90","","90","","6085.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N7 O7 S -","- C30 H35 N7 O7 S -","- C240 H280 N56 O56 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0766","0.0557","","","0.1408","0.1553","","","","","","1.033","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243662","36.464","0.006","8.7361","0.0017","24.937","0.005","90","","132.658","0.006","90","","5842","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N7 O6 S -","- C29 H33 N7 O6 S -","- C232 H264 N56 O48 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.068","0.0658","","","0.1852","0.187","","","","","","1.086","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243663","16.4349","0.0008","8.4148","0.0005","22.4426","0.0012","90","","103.464","0.002","90","","3018.4","0.3","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N7 O8 S -","- C29 H35 N7 O8 S -","- C116 H140 N28 O32 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0562","0.047","","","0.1188","0.1266","","","","","","1.048","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243664","16.0673","0.0017","8.5659","0.0009","23.125","0.002","90","","106.194","0.003","90","","3056.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N8 O6 S -","- C32 H34 N8 O6 S -","- C128 H136 N32 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0735","0.0612","","","0.1296","0.1355","","","","","","1.127","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243665","8.687","0.0014","10.446","0.002","16.411","0.003","77.708","0.009","77.031","0.008","74.897","0.009","1382.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C56 H58 N14 O12 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0946","0.1011","","","","","","1.071","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243666","7.499","0.002","14.142","0.004","15.071","0.003","77.4","0.011","77.647","0.013","86.005","0.014","1523.2","0.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N7 O10 S -","- C28 H37 N7 O10 S -","- C56 H74 N14 O20 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0615","0.0588","","","0.1661","0.1713","","","","","","1.164","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243667","8.5756","0.0003","22.7659","0.0008","14.185","0.0005","90","","90.794","0.001","90","","2769.09","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C112 H116 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0523","0.0483","","","0.1214","0.1244","","","","","","1.069","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243668","11.358","0.004","14.023","0.006","16.34","0.006","105.473","0.011","91.683","0.011","97.049","0.016","2484","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N7 O3 S -","- C25 H31 N7 O3 S -","- C100 H124 N28 O12 S4 -","4","2","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.048","0.0427","","","0.1104","0.1153","","","","","","1.131","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243669","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243670","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243671","13.247","0.006","7.6192","0.0016","15.469","0.01","90","","92.42","0.06","90","","1559.9","1.3","394","2","394","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl N6 O5 S -","- C30 H31 Cl N6 O5 S -","- C60 H62 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.4052","0.0956","","","0.1217","0.2293","","","","","","0.961","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243672","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243673","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243674","15.4711","0.0018","7.0655","0.0006","13.0349","0.0012","90","","104.993","0.011","90","","1376.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H29 Cl N6 O5 S -","- C29 H29 Cl N6 O5 S -","- C58 H58 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.1","0.0689","","","0.1092","0.1229","","","","","","1.017","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243675","14.5891","0.0008","7.5159","0.0003","15.6522","0.0009","90","","113.725","0.007","90","","1571.22","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H35 Cl N6 O6 S -","- C31 H35 Cl N6 O6 S -","- C62 H70 Cl2 N12 O12 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.0616","0.0509","","","0.0961","0.1059","","","","","","1.045","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243676","8.175","0.0004","11.225","0.0005","12.1741","0.0005","76.648","0.002","86.085","0.002","70.908","0.002","1027.13","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 N3 O10 U2 -","- C17 H13 N3 O10 U2 -","- C34 H26 N6 O20 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0389","0.0252","","","0.0557","0.063","","","","","","1.157","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243677","10.4295","0.0005","10.5028","0.0006","11.5621","0.0006","63.375","0.002","74.261","0.002","80.69","0.002","1088.56","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 N3 O11 Pb U -","- C18 H16 N3 O11 Pb U -","- C36 H32 N6 O22 Pb2 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0209","0.0203","","","0.0466","0.0468","","","","","","1.192","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243678","8.7682","0.0002","16.9333","0.0005","28.1757","0.0007","90","","98.6612","0.0013","90","","4135.67","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N7 Ni O12.5 U -","- C32 H25 N7 Ni O12.5 U -","- C128 H100 N28 Ni4 O50 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.038","0.0337","","","0.0747","0.0763","","","","","","1.093","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243679","18.5799","0.0005","18.5799","0.0005","42.3462","0.0013","90","","90","","90","","14618.4","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H60 N14 Ni2 O29 U2 -","- C64 H42 N14 Ni2 O29 U2 -","- C512 H336 N112 Ni16 O232 U16 -","8","2","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0383","0.036","","","0.08","0.081","","","","","","1.159","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243681","9.2609","0.0019","24.972","0.005","9.6398","0.0019","90","","109.03","0.03","90","","2107.5","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N5 O2 S -","- C21 H25 N5 O2 S -","- C84 H100 N20 O8 S4 -","4","1","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","270448","2021-11-06","19:59:25",""
"7243682","5.7687","0.0012","7.8235","0.0016","35.517","0.007","90","","91.67","0.03","90","","1602.3","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DAP-PYR (2:1)","","- C33 H37 N7 O4 S2 -","- C33 H37 N7 O4 S2 -","- C66 H74 N14 O8 S4 -","2","0.5","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","0.71073","MoKα","","0.0645","0.0481","","","0.1123","0.1227","","","","","","1.079","","","","has coordinates,has disorder","270448","2021-11-06","19:59:26",""
"7243683","7.8228","0.0003","13.8222","0.0006","16.4334","0.0008","90","","90","","90","","1776.92","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0296","0.0226","","","0.0467","0.0487","","","","","","1.042","","","","has coordinates","271159","2021-12-07","02:53:53",""
"7243684","7.8558","0.0003","13.8616","0.0005","16.5205","0.0007","90","","90","","90","","1798.98","0.12","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0403","0.0262","","","0.0507","0.0546","","","","","","0.992","","","","has coordinates","271159","2021-12-07","02:53:56",""
"7243685","7.9139","0.0003","13.9195","0.0006","16.6734","0.0008","90","","90","","90","","1836.7","0.14","315","2","315","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0536","0.0282","","","0.0444","0.0494","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:58",""
"7243686","7.9357","0.0003","13.9514","0.0006","16.7733","0.0008","90","","90","","90","","1857.04","0.14","350","2","350","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0676","0.034","","","0.0543","0.0619","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:59",""
"7243687","7.9192","0.0003","13.9256","0.0006","16.7036","0.0008","90","","90","","90","","1842.07","0.14","330","2","330","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0589","0.0314","","","0.0518","0.0577","","","","","","1.038","","","","has coordinates","271159","2021-12-07","02:54:01",""
"7243688","7.9171","0.0003","13.9272","0.0005","16.6694","0.0007","90","","90","","90","","1838.02","0.12","305","2","305","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0575","0.031","","","0.0491","0.0549","","","","","","1.022","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243689","7.8962","0.0003","13.9023","0.0005","16.6281","0.0008","90","","90","","90","","1825.36","0.13","290","2","290","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0483","0.0268","","","0.0453","0.0502","","","","","","1.026","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243690","7.8377","0.0003","13.8396","0.0006","16.4718","0.0008","90","","90","","90","","1786.71","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0363","0.0258","","","0.0492","0.0521","","","","","","1.036","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243691","7.8755","0.0003","13.8822","0.0005","16.5729","0.0007","90","","90","","90","","1811.9","0.12","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0474","0.0272","","","0.0496","0.0543","","","","","","1.031","","","","has coordinates","271159","2021-12-07","02:54:08",""
"7243692","13.6568","0.001","4.4427","0.0003","18.6786","0.0014","90","","101.195","0.001","90","","1111.72","0.14","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H19 N2 O8 Pb2 -","- C19 H19 N2 O8 Pb2 -","- C38 H38 N4 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.0582","0.0534","","","0.1291","0.1327","","","","","","1.128","","","","has coordinates,has disorder","271169","2021-12-07","03:05:41",""
"7243693","18.508","0.002","4.0982","0.0005","18.984","0.002","90","","96.68","0.002","90","","1430.2","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N4 O8 Pb2 -","- C28 H24 N4 O8 Pb2 -","- C56 H48 N8 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.062","0.0489","","","0.1202","0.1274","","","","","","1.057","","","","has coordinates,has disorder","271169","2021-12-07","03:05:44",""
"7243694","21.4117","0.0012","11.5851","0.0006","25.3771","0.0014","90","","103.588","0.001","90","","6118.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Cu2 N11 O21 -","- C57 H67 Cu2 N11 O21 -","- C228 H268 Cu8 N44 O84 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","0.71073","MoKα","","0.0563","0.0379","","","0.092","0.1023","","","","","","1.03","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243695","19.6662","0.0002","20.9151","0.0001","18.3648","0.0002","90","","117.44","0.002","90","","6703.97","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H40 Cu2 N8 O16 Pd2 -","- C50 H40 Cu2 N8 O16 Pd2 -","- C200 H160 Cu8 N32 O64 Pd8 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","1.54184","CuKα","","0.0478","0.0468","","","0.1209","0.1216","","","","","","1.029","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243703","14.3455","0.0005","27.8054","0.0011","27.708","0.0011","90","","90.205","0.002","90","","11052.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N3 O8 S4 Zn2 -","- C23 H16 N3 O8 S4 Zn2 -","- C184 H128 N24 O64 S32 Zn16 -","8","1","","Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo","A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation","CrystEngComm","2021","23","41","7348","7357","10.1039/D1CE01074C","","","1.54178","CuKα","","0.1197","0.1137","","","0.2747","0.2794","","","","","","1.059","","","","has coordinates","270410","2021-11-06","19:46:40",""
"7243705","16.1541","0.0002","18.0486","0.0002","23.7037","0.0003","90","","91.155","0.001","90","","6909.62","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H108 Ce N9 O12 S2 -","- C50 H107 Ce N9 O12 S2 -","- C200 H428 Ce4 N36 O48 S8 -","4","1","","Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen","Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)","CrystEngComm","2021","23","46","8104","8109","10.1039/D1CE01153G","","","0.71073","MoKα","","0.039","0.0363","","","0.0981","0.0994","","","","","","1.052","","","","has coordinates,has disorder","271172","2021-12-07","03:07:31",""
"7243706","8.9895","0.0003","11.5404","0.0003","33.0283","0.0007","95.255","0.002","96.857","0.002","102.441","0.002","3297.64","0.16","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H96 Cd5 N6 O30 -","- C112 H80 Cd5 N4 O30 -","- C112 H80 Cd5 N4 O30 -","1","0.5","","Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions","CrystEngComm","2021","23","46","8087","8092","10.1039/D1CE01115D","","","1.54184","CuKα","","0.0721","0.0668","","","0.1712","0.1748","","","","","","1.049","","","","has coordinates,has disorder","271175","2021-12-07","03:08:10",""
"7243707","12.004","0.002","13.159","0.002","14.922","0.002","86.296","0.004","87.495","0.006","71.75","0.004","2233.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","heterobimetallc ruthenium gallate complex","","- C51 H51 Cl2 Ga P2 Ru -","- C51 H51 Cl2 Ga P2 Ru -","- C102 H102 Cl4 Ga2 P4 Ru2 -","2","1","","García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia","SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex","CrystEngComm","2021","23","42","7479","7484","10.1039/D1CE01076J","","","0.71073","MoKα","","0.0308","0.0254","","","0.0553","0.0579","","","","","","1.063","","","","has coordinates","270426","2021-11-06","19:51:09",""
"7243708","11.035","0.002","11.907","0.002","13.273","0.003","81.38","0.002","70.064","0.002","71.719","0.002","1554.9","0.5","101","2","101","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMA solvate","","","- C39 H33 N3 O7 -","- C39 H33 N3 O7 -","- C78 H66 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0725","0.0496","","","0.1189","0.1322","","","","","","1.033","","","","has coordinates","270422","2021-11-06","19:50:32",""
"7243709","10.653","0.003","11.153","0.003","13.566","0.004","85.062","0.004","74.512","0.003","72.396","0.003","1480.5","0.7","108","2","108","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate THF solvate","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C78 H64 N4 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0966","0.0681","","","0.1946","0.2175","","","","","","1.071","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243710","10.6989","0.0018","11.63","0.002","13.421","0.002","82.162","0.005","72.106","0.005","72.058","0.005","1510.3","0.4","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMF solvate","","","- C38 H31 N3 O7 -","- C38 H31 N3 O7 -","- C76 H62 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0661","0.0503","","","0.1335","0.148","","","","","","1.02","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243711","10.554","0.0002","11.3682","0.0002","13.7388","0.0002","84.165","0.001","74.55","0.001","72.852","0.001","1517.71","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMSO solvate","","","- C37 H30 N2 O7 S -","- C37 H30 N2 O7 S -","- C74 H60 N4 O14 S2 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0692","0.0459","","","0.1125","0.1295","","","","","","1.013","","","","has coordinates,has disorder","270422","2021-11-06","19:50:33",""
"7243712","18.7914","0.0004","9.2921","0.0004","19.0621","0.0004","90","","99.32","","90","","3284.52","0.17","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Clopamide anhydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide","","- C14 H20 Cl N3 O3 S -","- C14 H20 Cl N3 O3 S -","- C112 H160 Cl8 N24 O24 S8 -","8","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54178","CuKα","","0.1199","0.0998","","","0.2258","0.2344","","","","","","1.229","","","","has coordinates","270419","2021-11-06","19:49:58",""
"7243713","7.8247","0.0014","13.829","0.002","15.156","0.003","78.981","0.004","81.309","0.004","85.041","0.004","1588.5","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C56 H76 Cl4 Cu2 N12 O12 S4 -","2","1","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.2417","0.1496","","","0.3058","0.3567","","","","","","1.11","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243714","13.46","0.001","15.2424","0.0011","18.1855","0.0016","114.627","0.006","93.362","0.008","90.021","0.006","3384.5","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C112 H152 Cl8 Cu4 N24 O24 S8 -","4","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1375","0.0777","","","0.12","0.1368","","","","","","1.054","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243715","23.078","0.003","23.078","0.003","18.3291","0.0012","90","","90","","120","","8454.1","1.6","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C252 H342 Cl18 Cu9 N54 O54 S18 -","9","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.2142","0.1033","","","0.1672","0.2052","","","","","","1.094","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243716","26.699","0.002","9.8941","0.0008","15.6876","0.0014","90","","104.75","0.007","90","","4007.5","0.6","128","2","128","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","clopamide copper(II) dichloromethane","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dichloromethane solvate","","- C30 H42 Cl6 Cu N6 O6 S2 -","- C30 H42 Cl6 Cu N6 O6 S2 -","- C120 H168 Cl24 Cu4 N24 O24 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.1623","0.1231","","","0.2351","0.2539","","","","","","1.151","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243717","8.497","0.005","8.404","0.004","16.31","0.008","83.113","0.012","79.445","0.01","67.366","0.01","1055.2","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1149","0.0856","","","0.2121","0.2365","","","","","","1.059","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243718","8.3107","0.0014","8.7469","0.0014","16.387","0.003","79.713","0.005","87.099","0.004","65.629","0.004","1067.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diisoprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diisoprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0816","0.069","","","0.1506","0.1574","","","","","","1.087","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243719","7.7518","0.0003","8.0901","0.0004","16.3683","0.0007","83.113","0.001","78.821","0.001","71.659","0.001","953.96","0.07","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) dimethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dimethanol solvate dihydrate","","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0684","0.0472","","","0.102","0.1282","","","","","","1.101","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243720","8.2195","0.0007","8.2439","0.0007","16.4822","0.0014","85.598","0.002","78.212","0.002","68.273","0.002","1015.62","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diethanol solvate dihydrate","","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1175","0.0969","","","0.2379","0.2553","","","","","","1.095","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243721","14.5166","0.0008","9.3747","0.0007","24.7064","0.0017","90","","100.965","0.002","90","","3300.9","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Clopamide hemihydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide hemihydrate","","- C28 H40 Cl2 N6 O7 S2 -","- C28 H40 Cl2 N6 O7 S2 -","- C112 H160 Cl8 N24 O28 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0508","0.0438","","","0.1063","0.1109","","","","","","1.049","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243722","17.5326","0.0011","18.5686","0.0011","19.6507","0.0011","65.24","0.002","66.895","0.002","69.537","0.002","5210.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TeO6)Ag36(CCtBu)18(tfa)8(F5PhCO2)4","","","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","1","0.5","","Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei","Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster","CrystEngComm","2021","23","41","7202","7205","10.1039/D1CE01061A","","","0.71073","MoKα","","0.0578","0.0483","","","0.1227","0.1281","","","","","","1.042","","","","has coordinates,has disorder","270415","2021-11-06","19:48:14",""
"7243723","3.8349","0.0004","8.8365","0.0007","13.2606","0.0009","88.717","0.005","89.773","0.006","78.865","0.006","440.79","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","1","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54184","CuKα","","0.035","0.0331","","","0.0975","0.1011","","","","","","1.021","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243724","3.8029","0.0003","13.8237","0.001","14.1694","0.001","90","","94.395","0.005","90","","742.7","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione","","- C24 H12 O2 -","- C24 H12 O2 -","- C48 H24 O4 -","2","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.075","0.0519","","","0.119","0.1407","","","","","","1.045","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243725","31.7745","0.0016","3.8742","0.0002","15.4074","0.001","90","","90","","90","","1896.66","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H8 Br4 O2 -","- C24 H8 Br4 O2 -","- C96 H32 Br16 O8 -","4","1","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.0805","0.0582","","","0.1448","0.1648","","","","","","1.07","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243729","28.727","0.002","28.727","0.002","14.5895","0.0019","90","","90","","90","","12040","2","293","","293","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C23 H14 Cu2 O12 -","- C23 H14 Cu2 O12 -","- C184 H112 Cu16 O96 -","8","0.25","","Yan, Yang-Tian; Wang, Chen-Yang; Zheng, Li-Na; Wu, Yun-long; Liu, Jiao; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","A new multi-functional Cu(ii)-organic framework as a platform for selective carbon dioxide chemical fixation and separation of organic dyes","CrystEngComm","2021","23","47","8315","8322","10.1039/D1CE01274F","","","0.71073","MoKα","","0.1108","0.0737","","","0.228","0.2673","","","","","","1.099","","","","has coordinates,has disorder","271829","2022-01-06","21:12:55",""
"7243730","9.965","0.005","10.598","0.005","12.54","0.006","94.375","0.008","108.088","0.007","94.539","0.008","1247.8","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0901","0.0617","","","0.1479","0.1652","","","","","","0.969","","","","has coordinates,has disorder","271170","2021-12-07","03:06:22",""
"7243731","10.256","0.002","12.989","0.003","14.013","0.003","63.783","0.004","81.4","0.003","82.923","0.004","1652.4","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd N5 O8 -","- C33 H23 Cd N5 O8 -","- C66 H46 Cd2 N10 O16 -","2","1","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0854","0.0507","","","0.1091","0.1444","","","","","","0.986","","","","has coordinates","271170","2021-12-07","03:06:25",""
"7243732","10.0981","0.0007","11.7986","0.0007","12.4956","0.0006","86.098","0.004","76.446","0.005","72.064","0.005","1376.95","0.15","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","x-ray","1.54184","CuKα","","0.0537","0.0448","","","0.1211","0.1289","","","","","","1.042","","","","has coordinates","271170","2021-12-07","03:06:35",""
"7243733","10.081","0.004","10.549","0.004","12.362","0.006","91.1","0.006","107.393","0.008","99.635","0.006","1233.5","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.1163","0.0841","","","0.1905","0.2097","","","","","","1.101","","","","has coordinates","271170","2021-12-07","03:06:37",""
"7243741","9.702","0.005","10.763","0.005","11.435","0.005","75.894","0.006","84.943","0.007","69.928","0.008","1087.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","JLNU-91","","- C42 H43 Ag3 N6 O8 -","- C40 H31 Ag3 N6 O4 -","- C40 H31 Ag3 N6 O4 -","1","1","","Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo","Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance","CrystEngComm","2021","23","42","7496","7501","10.1039/D1CE01133B","","","0.71073","MoKα","","0.0457","0.0421","","","0.1194","0.1225","","","","","","1.067","","","","has coordinates","270421","2021-11-06","19:50:19",""
"7243745","9.5767","0.0013","11.1881","0.0015","12.2524","0.0017","83.416","0.003","68.138","0.002","73.915","0.002","1170.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Compound 3","","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0461","0.0363","","","0.0978","0.1035","","","","","","1.086","","","","has coordinates,has disorder","271153","2021-12-07","02:50:59",""
"7243746","9.589","0.004","11.22","0.004","12.27","0.005","83.409","0.008","68.107","0.007","73.943","0.007","1177","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Fe Mo4 N4 O17 -","- C13 H13 Fe Mo4 N4 O17 -","- C26 H26 Fe2 Mo8 N8 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.1061","0.0734","","","0.189","0.2142","","","","","","1.007","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243747","9.593","0.002","11.205","0.002","12.283","0.003","83.427","0.004","68.122","0.004","73.812","0.004","1176.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0621","0.0429","","","0.1008","0.1107","","","","","","0.997","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243748","9.6183","0.0003","11.1742","0.0004","12.2597","0.0004","83.415","0.001","68.179","0.001","73.86","0.001","1174.92","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Mo4 N4 O17 Zn -","- C13 H12 Mo4 N4 O17 Zn -","- C26 H24 Mo8 N8 O34 Zn2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0334","0.0257","","","0.056","0.0587","","","","","","1.049","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243749","9.5458","0.0005","11.1569","0.0006","12.2071","0.0007","83.619","0.001","68.162","0.001","74.084","0.001","1160.46","0.11","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Mo4 N4 Ni O17 -","- C13 H13 Mo4 N4 Ni O17 -","- C26 H26 Mo8 N8 Ni2 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.027","0.0219","","","0.052","0.0541","","","","","","1.032","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243750","13.2622","0.0008","13.533","0.0008","16.2984","0.001","87.28","0.001","74.467","0.001","88.037","0.001","2814.5","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cd Mo12 N8 O46 P -","- C26 H24 Cd Mo12 N8 O46 P -","- C52 H48 Cd2 Mo24 N16 O92 P2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0735","0.043","","","0.0871","0.0999","","","","","","1.018","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243751","9.3815","0.0008","12.1909","0.001","14.0591","0.0011","92.007","0.006","101.5","0.007","101.086","0.007","1541.7","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 La N2.3 O10.9 -","- C26 H14 La N2.3 O10.9 -","- C52 H28 La2 N4.6 O21.8 -","2","1","","Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang","A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate","CrystEngComm","2021","23","43","7628","7634","10.1039/D1CE00935D","","","0.71073","MoKα","","0.0599","0.0507","","","0.1274","0.1306","","","","","","1.112","","","","has coordinates","271161","2021-12-07","02:55:00",""
"7243752","5.7835","0.0005","16.051","0.0015","21.5072","0.0017","90","","94.365","0.002","90","","1990.7","0.3","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu N6 O8 -","- C40 H48 Cu N6 O8 -","- C80 H96 Cu2 N12 O16 -","2","0.5","","Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira","Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure","CrystEngComm","2021","23","46","8139","8149","10.1039/D1CE01290H","","","0.71073","MoKα","","0.0622","0.0439","","","0.1163","0.1254","","","","","","1.054","","","","has coordinates","271179","2021-12-07","03:09:14",""
"7243753","15.728","0.0004","13.5055","0.0002","24.0316","0.0006","90","","108.218","0.003","90","","4848.8","0.2","104.9","","104.9","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Cu F3 N4 O3 P2 S -","- C56 H44 Cu F3 N4 O3 P2 S -","- C224 H176 Cu4 F12 N16 O12 P8 S4 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0574","0.0413","","","0.0887","0.0971","","","","","","1.021","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243754","14.5279","0.0003","19.7802","0.0004","16.4881","0.0003","90","","93.0114","0.0016","90","","4731.56","0.16","105.2","","105.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55.27 H45.07 B Cu F4 N4 O0.27 P2 -","- C55.268 H45.072 B Cu F4 N4 O0.268 P2 -","- C221.072 H180.288 B4 Cu4 F16 N16 O1.072 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0459","0.0339","","","0.0717","0.0776","","","","","","1.046","","","","has coordinates,has disorder","271833","2022-01-06","21:13:46",""
"7243755","16.0954","0.0006","13.4388","0.0004","23.1216","0.0009","90","","107.221","0.004","90","","4777.1","0.3","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl Cu N4 O4 P2 -","- C55 H43 Cl Cu N4 O4 P2 -","- C220 H172 Cl4 Cu4 N16 O16 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0781","0.0727","","","0.2205","0.2279","","","","","","1.097","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243756","11.9044","0.0001","19.1935","0.0002","21.5471","0.0003","90","","105.907","0.001","90","","4734.71","0.09","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Br Cu N4 O2 P2 -","- C57 H52 Br Cu N4 O2 P2 -","- C228 H208 Br4 Cu4 N16 O8 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1249","0.1259","","","","","","1.028","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243757","14.3536","0.0001","20.0276","0.0002","16.8454","0.0002","90","","94.109","0.001","90","","4830.07","0.08","132.99","0.1","132.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cu I N4 O P2 -","- C56 H48 Cu I N4 O P2 -","- C224 H192 Cu4 I4 N16 O4 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.0914","0.0921","","","","","","1.052","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243758","8.9053","0.0018","12.585","0.003","17.847","0.004","90","","90.73","0.03","90","","2000","0.8","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N14 O16 -","- C8 H12 N14 O16 -","- C32 H48 N56 O64 -","4","1","","Zhang, Wenjin; Bao, Lingxiang; Fei, Teng; Lv, Penghao; Sun, Chenghui; Pang, Siping","Taming CL-20 through hydrogen bond interaction with nitromethane","CrystEngComm","2021","23","46","8099","8103","10.1039/D1CE01275D","","","0.71073","MoKα","","0.0564","0.0458","","","0.1482","0.1848","","","","","","1.187","","","","has coordinates,has disorder","271174","2021-12-07","03:07:57",""
"7243759","8.79899","0.00006","12.17385","0.00009","15.22942","0.00012","90","","90","","90","","1631.34","0.02","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","1.54187","CuKα","","0.0293","0.0292","","","0.0744","0.0745","","","","","","1.089","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243760","14.8313","0.0005","16.0368","0.0007","20.2334","0.0007","90","","91.974","0.003","90","","4809.6","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N3 O3 S -","- C28 H23 N3 O3 S -","- C224 H184 N24 O24 S8 -","8","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1054","0.057","","","0.119","0.1376","","","","","","1.022","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243761","8.4505","0.0004","13.524","0.0006","13.0184","0.0006","90","","100.599","0.005","90","","1462.42","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C56 H56 Cl4 N4 O16 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.062","0.0418","","","0.09","0.0969","","","","","","1.036","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243762","8.4205","0.0005","9.8122","0.0005","11.2928","0.0006","93.998","0.004","101.829","0.005","108.5","0.005","856.87","0.09","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl N2 O2 S -","- C17 H13 Br Cl N2 O2 S -","- C34 H26 Br2 Cl2 N4 O4 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0484","0.033","","","0.0673","0.0715","","","","","","1.067","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243763","31.8179","0.0011","8.1924","0.0003","17.861","0.0006","90","","103.002","0.003","90","","4536.4","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0468","0.0421","","","0.1102","0.1135","","","","","","1.058","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243764","10.2247","0.0006","13.3486","0.0006","15.0139","0.0013","90","","98.168","0.007","90","","2028.4","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N3 O2 S -","- C23 H20 F N3 O2 S -","- C92 H80 F4 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1268","0.0632","","","0.1393","0.162","","","","","","1.03","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243765","9.0097","0.0005","12.3524","0.0007","12.9152","0.0007","82.341","0.005","84.612","0.005","84.72","0.005","1413.62","0.14","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.153","0.0774","","","0.1845","0.2176","","","","","","1.016","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243766","12.6908","0.0004","11.0757","0.0003","15.7411","0.0005","90","","91.683","0.003","90","","2211.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C100 H96 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0607","0.0518","","","0.1177","0.1219","","","","","","1.119","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243767","8.3499","0.0005","11.4704","0.0004","13.571","0.0006","101.723","0.004","95.458","0.004","110.537","0.004","1172","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C52 H54 N6 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0849","0.0536","","","0.125","0.137","","","","","","1.035","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243768","9.175","0.0005","5.9502","0.0003","22.5","0.0013","90","","95.764","0.005","90","","1222.13","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F N O2 S -","- C13 H12 F N O2 S -","- C52 H48 F4 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0697","0.051","","","0.1306","0.144","","","","","","1.073","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243769","11.5492","0.0005","7.5883","0.0004","31.0045","0.0014","90","","90","","90","","2717.2","0.2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C128 H96 F8 N8 O16 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0557","0.0385","","","0.0853","0.0907","","","","","","1.029","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243770","11.7276","0.0004","14.3853","0.0004","16.9385","0.0005","99.089","0.002","98.944","0.002","110.799","0.003","2567.63","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Br4 N8 O4 S2 -","- C54 H42 Br4 N8 O4 S2 -","- C108 H84 Br8 N16 O8 S4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0716","0.041","","","0.071","0.0779","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243771","9.958","0.0004","21.7896","0.001","6.0999","0.0003","90","","90","","90","","1323.56","0.1","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0302","0.0259","","","0.0525","0.0541","","","","","","1.086","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243772","5.0813","0.0004","20.4639","0.0013","12.2504","0.0009","90","","90.757","0.006","90","","1273.72","0.16","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O2 S -","- C13 H10 F3 N O2 S -","- C52 H40 F12 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0766","0.0676","","","0.1769","0.1812","","","","","","1.092","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243773","10.0096","0.0003","12.4631","0.0006","17.7972","0.0007","80.489","0.004","73.938","0.003","87.66","0.003","2104.19","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F N3 O2 S -","- C24 H22 F N3 O2 S -","- C96 H88 F4 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.115","0.0951","","","0.2732","0.2847","","","","","","1.052","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243774","8.56656","0.00014","11.3193","0.00019","12.12655","0.00019","85.376","0.0013","87.7729","0.0013","80.6487","0.0014","1156.08","0.03","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl4 N2 O4 S -","- C20 H19 Cl4 N2 O4 S -","- C40 H38 Cl8 N4 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0423","0.037","","","0.0967","0.1","","","","","","1.046","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243775","8.24874","0.00018","9.01497","0.00018","29.484","0.0006","82.9508","0.0016","83.6918","0.0018","76.4332","0.0018","2107.72","0.08","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 N3 O2 S -","- C23 H18 F3 N3 O2 S -","- C92 H72 F12 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0604","0.0484","","","0.1213","0.1257","","","","","","1.104","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243776","15.703","0.0005","30.2596","0.0008","17.0294","0.0006","90","","111.871","0.004","90","","7509.4","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H68 F3 N11 O6 S3 -","- C88 H68 F3 N11 O6 S3 -","- C352 H272 F12 N44 O24 S12 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0905","0.0538","","","0.1226","0.1367","","","","","","1.065","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243777","8.123","0.008","20.61","0.02","18.053","0.017","90","","99.8","0.03","90","","2978","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Cl2 N8 O6 -","- C52 H94 Cl2 N8 O6 -","- C104 H188 Cl4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1124","0.0679","","","0.1923","0.2326","","","","","","1.024","","","","has coordinates","271156","2021-12-07","02:52:12",""
"7243778","21.998","0.002","8.4985","0.0005","19.2091","0.0015","90","","99.496","0.007","90","","3541.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Cl2 F12 N8 O2 -","- C60 H102 Cl2 F12 N8 O2 -","- C120 H204 Cl4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.2107","0.0809","","","0.1395","0.1949","","","","","","0.984","","","","has coordinates,has disorder","271156","2021-12-07","02:52:15",""
"7243779","12.8556","0.0012","13.8433","0.0013","8.8264","0.0011","90","","99.395","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F12 N6 O2 -","- C28 H30 F12 N6 O2 -","- C56 H60 F24 N12 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1976","0.0804","","","0.1794","0.2657","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:25",""
"7243780","21.98","0.002","8.6346","0.001","19.393","0.0018","90","","99.074","0.003","90","","3634.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Br2 F12 N8 O2 -","- C60 H102 Br2 F12 N8 O2 -","- C120 H204 Br4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1752","0.0687","","","0.1545","0.2061","","","","","","0.997","","","","has coordinates,has disorder","271156","2021-12-07","02:52:29",""
"7243781","8.2545","0.0015","20.43","0.004","18.277","0.003","90","","100.194","0.006","90","","3033.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Br2 N8 O6 -","- C52 H94 Br2 N8 O6 -","- C104 H188 Br4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1009","0.0511","","","0.1407","0.1721","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:41",""
"7243803","11.0626","0.0005","13.5522","0.0006","11.9227","0.0005","90","","94.194","0.002","90","","1782.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Bi2 N10 O14 -","- C32 H28 Bi2 N10 O14 -","- C64 H56 Bi4 N20 O28 -","2","0.5","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0506","0.0277","","","0.0417","0.0461","","","","","","1.021","","","","has coordinates","271171","2021-12-07","03:06:58",""
"7243804","36.9899","0.0017","9.7296","0.0004","18.0256","0.0008","90","","90.543","0.002","90","","6487.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Bi F6 N4 O7 S2 -","- C31 H19 Bi F6 N4 O7 S2 -","- C248 H152 Bi8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0737","0.0839","","","","","","1.024","","","","has coordinates,has disorder","271171","2021-12-07","03:07:08",""
"7243805","10.2659","0.0006","10.8192","0.0006","14.9442","0.0008","91.545","0.002","92.281","0.002","109.003","0.002","1566.73","0.15","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Br F6 N3 O4 S2 -","- C31 H19 Bi Br F6 N3 O4 S2 -","- C62 H38 Bi2 Br2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0157","0.0144","","","0.0334","0.0338","","","","","","1.059","","","","has coordinates,has disorder","271171","2021-12-07","03:07:11",""
"7243806","37.6364","0.0016","9.6744","0.0004","18.2345","0.0007","90","","95.909","0.001","90","","6604.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Eu F6 N4 O7 S2 -","- C31 H19 Eu F6 N4 O7 S2 -","- C248 H152 Eu8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0356","0.0275","","","0.0622","0.0652","","","","","","1.061","","","","has coordinates,has disorder","271171","2021-12-07","03:07:14",""
"7243807","10.3216","0.0005","10.7535","0.0005","14.8647","0.0007","91.665","0.002","91.689","0.002","109.018","0.002","1557.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C62 H38 Bi2 Cl2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0268","0.0207","","","0.0381","0.0393","","","","","","1.044","","","","has coordinates,has disorder","271171","2021-12-07","03:07:17",""
"7243808","30.2542","0.0014","8.7876","0.0004","18.6371","0.0008","90","","96.051","0.001","90","","4927.3","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Bi Br2 F3 N3 O2 S -","- C23 H15 Bi Br2 F3 N3 O2 S -","- C184 H120 Bi8 Br16 F24 N24 O16 S8 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0229","0.0185","","","0.0412","0.0425","","","","","","1.128","","","","has coordinates","271171","2021-12-07","03:07:19",""
"7243818","7.8876","0.0005","8.3604","0.0006","9.668","0.0007","65.082","0.002","76.419","0.002","73.429","0.002","549.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H12 O12 Sc -","- C3 H12 O12 Sc -","- C6 H24 O24 Sc2 -","2","1","","Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing","Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties","CrystEngComm","2021","23","44","7813","7821","10.1039/D1CE01206A","","","0.71073","MoKα","","0.0511","0.0474","","","0.1319","0.1369","","","","","","1.056","","","","has coordinates","271154","2021-12-07","02:51:31",""
"7243819","13.9162","0.0005","25.5541","0.001","14.1871","0.0005","90","","106.461","0.001","90","","4838.4","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 Mo12 N2 O64 Si -","- C52 H102 K4 Mo12 N2 O64 Si -","- C104 H204 K8 Mo24 N4 O128 Si2 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0754","0.0556","","","0.1054","0.1138","","","","","","1.041","","","","has coordinates","271838","2022-01-06","21:14:46",""
"7243820","13.9948","0.0007","25.5334","0.0013","14.1995","0.0007","90","","106.73","0.002","90","","4859.2","0.4","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 N2 O64 Si W12 -","- C52 H102 K4 N2 O64 Si W11.9998 -","- C104 H204 K8 N4 O128 Si2 W23.9996 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0729","0.0423","","","0.0718","0.0799","","","","","","1.018","","","","has coordinates","271838","2022-01-06","21:14:47",""
"7243821","7.057","0.0004","12.6851","0.0006","14.8883","0.0009","80.126","0.004","77.986","0.005","76.607","0.005","1257.45","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br4 I2 N4 O2 -","- C18 H18 Br4 I2 N4 O2 -","- C36 H36 Br8 I4 N8 O4 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0526","0.0507","","","","0.1452","","","","","","0.928","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243822","15.4807","0.0005","9.1376","0.0004","17.3524","0.0005","90","","91.217","0.003","90","","2454.06","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br4 Cl0 I2 N2 O2 -","- C18 H16 Br4 I2 N2 O2 -","- C72 H64 Br16 I8 N8 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0625","0.056","","","","0.1565","","","","","","1.044","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243823","10.9816","0.0002","15.6952","0.0002","13.8514","0.0002","90","","110.729","0.002","90","","2232.86","0.07","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Br2 Cl2 I2 N2 O -","- C15 H14 Br2 Cl2 I2 N2 O -","- C60 H56 Br8 Cl8 I8 N8 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0537","0.0522","","","","0.1591","","","","","","1.048","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243824","8.5741","0.0007","9.1611","0.0007","9.2506","0.0007","105.323","0.007","94.024","0.007","95.605","0.007","693.94","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","1","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0679","0.0635","","","","0.1949","","","","","","1.099","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243825","13.9401","0.0002","13.8771","0.0002","7.6055","0.0001","90","","90","","90","","1471.27","0.04","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C20 H30 Br4 I2 N4 O2 -","- C20 H32 Br4 I2 N4 O2 -","- C40 H64 Br8 I4 N8 O4 -","2","0.25","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0509","0.0504","","","","0.166","","","","","","1.163","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243826","7.773","0.0017","9.519","0.002","17.246","0.004","90","","91.254","0.004","90","","1275.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 I N O -","- C9 H8 Br2 I N O -","- C36 H32 Br8 I4 N4 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0608","0.0579","","","","0.1761","","","","","","1.037","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243827","6.95","0.0014","7.941","0.0016","21.253","0.004","96.36","0.03","93.79","0.03","101.98","0.03","1135.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H15 N5 -","- C29 H15 N5 -","- C58 H30 N10 -","2","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1922","0.0684","","","0.1265","0.1721","","","","","","1.002","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243828","9.951","0.005","11.055","0.004","11.472","0.006","61.503","0.013","81.14","0.01","82.377","0.01","1093.3","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C2.82 H1.64 N0.27 -","- C2.81818 H1.63636 N0.272727 -","- C62 H36 N6 -","22","11","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.0888","0.0587","","","0.1616","0.1865","","","","","","1.008","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243829","14.271","0.003","10.228","0.002","14.842","0.003","90","","98.44","0.03","90","","2142.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N3 -","- C29 H18 N3 -","- C116 H72 N12 -","4","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1224","0.059","","","0.1352","0.1699","","","","","","1.005","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243830","11.6758","0.0005","9.9495","0.0005","31.6357","0.0012","90","","94.133","0.004","90","","3665.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 N2 O9.56 -","- C43 H34 N2 O9.56 -","- C172 H136 N8 O38.24 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1693","0.0724","","","0.1359","0.1752","","","","","","0.961","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243831","11.5248","0.0004","9.7579","0.0003","33.3652","0.0011","90","","95.796","0.001","90","","3733","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 N2 O9 -","- C43 H35 N2 O9 -","- C172 H140 N8 O36 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1275","0.0793","","","0.209","0.262","","","","","","0.829","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243832","11.1855","0.0002","9.8257","0.0002","33.0145","0.0006","90","","92.215","0.002","90","","3625.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.59 H33.41 N2.59 O8.41 -","- C43.588 H33.412 N2.588 O8.412 -","- C174.352 H133.648 N10.352 O33.648 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.0576","0.0509","","","0.1254","0.1285","","","","","","1.095","","","","has coordinates,has disorder","271834","2022-01-06","21:14:02",""
"7243833","11.8376","0.0005","9.829","0.0004","31.8542","0.0015","90","","95.889","0.002","90","","3686.7","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H74 N4 O19 -","- C86 H74 N4 O19 -","- C172 H148 N8 O38 -","2","0.5","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1367","0.0921","","","0.1509","0.1665","","","","","","1.129","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243835","21.43","0.0003","13.5076","0.0001","9.2943","0.0001","90","","113.17","0.001","90","","2473.4","0.05","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TBPADP","","","- C44 H89 O8 P2 -","- C44 H89 O8 P2 -","- C88 H178 O16 P4 -","2","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.10497","","","","","","0.10497","0.19512","0.715","","","","","","","has coordinates","271155","2021-12-07","02:51:49",""
"7243836","13.8216","0.0004","10.531","0.0003","9.538","0.0002","83.576","0.001","93.435","0.001","109.149","0.002","1302.86","0.06","300","","300","","","","","","","","","4","P -1","-P 1","2","TBP","","","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","1","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","1.77","synchrotron","","0.02813","","","","","","0.02811","0.06802","4.3378","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243837","19.5817","0.0002","19.58544","0.00006","12.02036","0.00006","90","","90","","90","","4610","0.05","300","","300","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","BTB-Pyram","","","- C21 O4 P -","- C21 O4 P -","- C168 O32 P8 -","8","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.12309","","","","","","0.12329","0.14659","0.4902","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243838","9.3115","0.0003","13.0344","0.0004","19.6397","0.0007","90","","91.56","0.003","90","","2382.78","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H45 O4 P -","- C22 H45 O4 P -","- C88 H180 O16 P4 -","4","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0841","0.0864","","","","","","1.054","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243839","19.1921","0.0007","20.0035","0.0008","11.7616","0.0004","90","","90","","90","","4515.4","0.3","223","","223","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C42 H76 O8 P2 -","- C42 H76 O8 P2 -","- C168 H304 O32 P8 -","4","0.25","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1367","0.1489","","","","","","1.066","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243840","9.5325","0.0004","10.0097","0.0003","13.4783","0.0004","74.634","0.003","87.007","0.003","81.876","0.003","1227.5","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H41 O4 P -","- C24 H41 O4 P -","- C48 H82 O8 P2 -","2","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.084","0.0639","","","0.1843","0.1976","","","","","","1.111","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243841","15.9106","0.0005","14.2542","0.0004","15.9668","0.0005","90","","95.032","0.007","90","","3607.2","0.19","296","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 O4 P -","- C16 H25 O4 P -","- C128 H200 O32 P8 -","8","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","","1.54187","CuKα","","0.0815","0.0598","","","0.1823","0.2064","","","","","","1.083","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243854","9.5985","0.0004","23.0985","0.0011","16.6315","0.0007","90","","90","","90","","3687.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish","Structure–mechanical property relationship of a pentapeptide crystal","CrystEngComm","2021","23","46","8093","8098","10.1039/D1CE00738F","","x-ray","0.71073","MoKα","","0.0562","0.0482","","","0.1048","0.1119","","","","","","1.07","","","","has coordinates","271177","2021-12-07","03:08:47",""
"7243861","13.0139","0.0006","8.364","0.0004","15.6352","0.0007","90","","105.259","0.001","90","","1641.87","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cd N6 O10 -","- C38 H26 Cd N6 O10 -","- C76 H52 Cd2 N12 O20 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0393","0.0279","","","0.0715","0.078","","","","","","0.996","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243862","7.4456","0.0006","10.0938","0.0008","20.1002","0.0015","80.984","0.002","81.683","0.002","87.5","0.002","1475.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 Cd N5 O9 -","- C32 H25 Cd N5 O9 -","- C64 H50 Cd2 N10 O18 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.088","0.05","","","0.0901","0.1165","","","","","","1.005","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243863","8.604","0.005","10.136","0.005","11.831","0.005","90.865","0.005","101.993","0.005","101.402","0.005","987.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O6 -","- C21 H18 Cd N2 O6 -","- C42 H36 Cd2 N4 O12 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.055","0.0421","","","0.1066","0.1139","","","","","","1.021","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243864","6.8068","0.0003","22.8205","0.0011","14.2425","0.0007","90","","92.986","0.001","90","","2209.35","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cd3 N4 O16 -","- C44 H42 Cd3 N4 O16 -","- C88 H84 Cd6 N8 O32 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0683","0.0414","","","0.0886","0.0994","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243865","9.033","0.005","9.906","0.005","19.233","0.005","98.94","0.005","96.928","0.005","115.762","0.005","1496.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O6 Zn -","- C33 H26 N4 O6 Zn -","- C66 H52 N8 O12 Zn2 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.1241","0.0737","","","0.2074","0.241","","","","","","1.057","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243866","4.8119","0.0005","12.3498","0.0012","34.966","0.004","90.387","0.002","93.527","0.002","93.29","0.002","2070.4","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cd2 Cl8 N4 O10 -","- C40 H20 Cd2 Cl8 N4 O10 -","- C80 H40 Cd4 Cl16 N8 O20 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","x-ray","0.71073","MoKα","K-L~3~","0.094","0.0556","","","0.1384","0.1635","","","","","","1.04","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243867","21.4405","0.0015","10.1496","0.0006","27.784","0.0018","90","","108.755","0.002","90","","5725.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C256 H208 Cd8 N32 O64 -","8","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.06","0.0342","","","0.0668","0.0757","","","","","","0.966","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243868","8.609","0.0007","9.6249","0.0008","17.9177","0.0014","97.561","0.002","94.156","0.002","116.185","0.002","1306.43","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.62 H3.12 N0.5 O Zn0.12 -","- C3.625 H3.125 N0.5 O Zn0.125 -","- C58 H50 N8 O16 Zn2 -","16","8","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0715","0.042","","","0.0824","0.0936","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243869","11.1927","0.001","12.9714","0.0011","21.8377","0.0019","80.98","0.005","77.033","0.005","76.035","0.005","2980.6","0.5","173","2","173.02","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","1","0.5","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.133","0.0635","","","0.1572","0.1865","","","","","","1.037","","","","has coordinates","271176","2021-12-07","03:08:25",""
"7243870","10.51","0.004","16.988","0.007","29.61","0.012","90","","90","","90","","5287","4","173","2","173.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N4 Ni O19 Zr3 -","- C33 H29 Cl3 N3 Ni O13 Zr3 -","- C132 H116 Cl12 N12 Ni4 O52 Zr12 -","4","1","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0559","","","0.1086","0.1264","","","","","","0.99","","","","has coordinates","271176","2021-12-07","03:08:28",""
"7243871","16.9618","0.001","16.9618","0.001","28.201","0.003","90","","90","","120","","7026.5","0.9","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H81 Mn6 N12 Na3 O47 -","- C69.9998 H69.0002 Mn6 N12 Na3 O47.0002 -","- C209.999 H207.001 Mn18 N36 Na9 O141.001 -","3","0.166667","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0355","0.0314","","","0.0834","0.0881","","","","","","1.057","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243872","11.6155","0.0004","13.4396","0.0006","16.6802","0.0008","86.026","0.004","75.057","0.003","85.102","0.005","2503.64","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Mn3 N8 O24 -","- C38 H39 Mn3 N8 O24 -","- C76 H78 Mn6 N16 O48 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.171","0.092","","","0.2347","0.2937","","","","","","1.079","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243873","13.502","0.0007","14.1079","0.0008","15.3728","0.0007","84.81","0.004","68.896","0.004","77.273","0.005","2664.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Mn3 N6 Na2 O21 -","- C45 H51 Mn3 N6 Na2 O21 -","- C90 H102 Mn6 N12 Na4 O42 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0895","0.0687","","","0.1675","0.1847","","","","","","1.139","","","","has coordinates,has disorder","271843","2022-01-06","21:16:20",""
"7243878","12.765","0.0007","12.8233","0.0008","14.6204","0.0008","76.975","0.005","64.278","0.005","68.218","0.006","1996.2","0.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 Dy N9 O4 -","- C39 H48 Cl2 Dy N9 O4 -","- C78 H96 Cl4 Dy2 N18 O8 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0371","","","0.0807","0.0852","","","","","","1.059","","","","has coordinates","271836","2022-01-06","21:14:26",""
"7243879","9.1671","0.0005","11.9694","0.0008","19.5627","0.0011","84.62","0.005","84.325","0.005","88.419","0.005","2126.2","0.2","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Dy N10 O10 -","- C41 H43 Dy N10 O10 -","- C82 H86 Dy2 N20 O20 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0801","0.0615","","","0.124","0.1352","","","","","","1.047","","","","has coordinates,has disorder","271836","2022-01-06","21:14:27",""
"7243880","9.2418","0.0004","11.8854","0.0004","19.2808","0.0007","81.334","0.003","82.417","0.003","88.254","0.003","2075.24","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Dy N11 O11 -","- C40 H42 Dy N11 O11 -","- C80 H84 Dy2 N22 O22 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0362","","","0.0675","0.071","","","","","","1.071","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243881","11.8504","0.0004","9.1104","0.0003","37.8203","0.0011","90","","97.811","0.003","90","","4045.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Dy N10 O9 -","- C40 H43 Dy N10 O9 -","- C160 H172 Dy4 N40 O36 -","4","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0499","0.0408","","","0.065","0.0671","","","","","","1.188","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243882","46.8542","0.0019","18.1479","0.0008","18.2239","0.0008","90","","112.584","0.001","90","","14307.6","1.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C163 H183 B2 Dy2 O14 Si4 -","- C163 H183 B2 Dy2 O14 Si4 -","- C652 H732 B8 Dy8 O56 Si16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0995","0.0598","","","0.1301","0.157","","","","","","1.014","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243883","14.334","0.002","16.468","0.002","14.54","0.002","90","","113.635","0.003","90","","3144.3","0.7","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0914","0.0564","","","0.0996","0.1104","","","","","","0.996","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243884","14.2745","0.0004","16.2901","0.0005","15.0762","0.0004","90","","115.806","0.001","90","","3156.1","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H69 Dy N2 O5 Si3 -","- C72 H69 Dy N2 O5 Si3 -","- C144 H138 Dy2 N4 O10 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0504","0.0349","","","0.0539","0.0572","","","","","","1.028","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243885","14.2076","0.0006","14.4956","0.0006","20.1298","0.0008","75.221","0.002","83.003","0.002","64.803","0.001","3626.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H96 B Dy O6 Sn2 -","- C82 H96 B Dy O6 Sn2 -","- C164 H192 B2 Dy2 O12 Sn4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0886","0.0452","","","0.0787","0.0901","","","","","","1.031","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243886","16.5639","0.0008","17.9149","0.0009","25.3059","0.0015","104.626","0.003","106.317","0.002","91.236","0.002","6938.6","0.6","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C180 H372 Ag8 Mo32 N36 O108 -","4","2","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.1124","0.0742","","","0.1557","0.1699","","","","","","1.087","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243887","17.5214","0.0004","16.1843","0.0004","23.4644","0.0006","90","","90","","90","","6653.8","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H86 Ag2 Mo8 N8 O26 -","- C42 H86 Ag2 Mo8 N8 O26 -","- C168 H344 Ag8 Mo32 N32 O104 -","4","0.5","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0471","0.0505","","","","","","1.047","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243888","12.9493","0.0007","16.7502","0.0005","18.016","0.0009","88.198","0.001","74.295","0.001","68.962","0.001","3501.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","","0.71073","MoKα","","0.1062","0.0694","","","0.1466","0.1824","","","","","","1.104","","","","has coordinates,has disorder","271844","2022-01-06","21:16:31",""
"7243903","16.0135","0.0006","16.0135","0.0006","26.0061","0.0014","90","","90","","120","","5775.4","0.4","297","","297","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H42 N14 Ni -","- C54 H42 N14 Ni -","- C162 H126 N42 Ni3 -","3","0.166667","","Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming","Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks","CrystEngComm","2021","23","47","8260","8264","10.1039/D1CE01210J","","x-ray","1.54184","CuKα","","0.0624","0.0569","","","0.17","0.176","","","","","","1.144","","","","has coordinates","271835","2022-01-06","21:14:17",""
"7243905","15.4575","0.0009","15.4575","0.0009","88.791","0.007","90","","90","","120","","18373","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1519","0.1067","","","0.29","0.319","","","","","","1.128","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243906","15.531","0.002","15.531","0.002","89.937","0.018","90","","90","","120","","18787","5","243","2","243","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.67","synchrotron","","0.1332","0.1014","","","0.2793","0.2997","","","","","","1.742","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243907","15.3498","0.0004","15.3498","0.0004","84.37","0.003","90","","90","","120","","17215.7","0.9","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H88 N18 O38 Zn3 -","- C108 H84 N18 O38 Zn3 -","- C648 H504 N108 O228 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1355","0.1171","","","0.2976","0.3111","","","","","","1.237","","","","has coordinates","271841","2022-01-06","21:15:54",""
"7243908","15.1763","0.0005","15.1763","0.0005","84.264","0.003","90","","90","","120","","16807.6","1","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O38 Zn3 -","- C108 H84 N17.991 O37.973 Zn3 -","- C648 H504 N107.946 O227.838 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1654","0.1409","","","0.3414","0.3564","","","","","","1.34","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243921","8.3887","0.0007","10.3405","0.0009","11.1345","0.0011","80.652","0.001","89.883","0.002","80.627","0.001","940","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 Cd2 N7 O8 -","- C15 H7 Cd2 N7 O9 -","- C30 H14 Cd4 N14 O18 -","2","1","","Li, Jing; Zhao, Yun-Xiu; Wu, Qian; Yang, Hua; Lu, Jing; Ma, Hui-Yan; Wang, Su-Na; Li, Yun-Wu","A Cd-MOF fluorescence sensor with dual functional sites for efficient detection of metal ions in multifarious water environments","CrystEngComm","2021","23","47","8392","8403","10.1039/D1CE01308D","","","0.71073","MoKα","","0.1029","0.0945","","","0.2783","0.2999","","","","","","1.315","","","","has coordinates","271831","2022-01-06","21:13:20",""
"7243928","14.1916","0.0004","14.043","0.0005","26.3455","0.0006","90","","92.889","0.002","90","","5243.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Co N3 O5 -","- C29 H22 Co N3 O5 -","- C232 H176 Co8 N24 O40 -","8","1","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.1103","0.0607","","","0.1516","0.1774","","","","","","1.03","","","","has coordinates","271840","2022-01-06","21:15:15",""
"7243929","12.622","0.0009","11.7644","0.0009","23.5657","0.0017","90","","95.079","0.006","90","","3485.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H66 Co2 N14 O14 -","- C76 H66 Co2 N14 O14 -","- C152 H132 Co4 N28 O28 -","2","0.5","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.0844","0.0505","","","0.1148","0.1313","","","","","","1.028","","","","has coordinates,has disorder","271840","2022-01-06","21:15:15",""
"7243935","29.078","0.004","8.723","0.0012","12.0174","0.0016","90","","93.915","0.006","90","","3041.1","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.42 H25.64 F2 N5.21 O4 S2 -","- C29.424 H25.636 F2 N5.212 O4 S2 -","- C117.696 H102.544 F8 N20.848 O16 S8 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0745","0.0623","","","0.1397","0.1454","","","","","","1.05","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243936","7.892","0.0002","11.2256","0.0003","24.2967","0.0006","90","","90","","90","","2152.5","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F2 N5 O2 S -","- C22 H19 F2 N5 O2 S -","- C88 H76 F8 N20 O8 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.031","0.0285","","","0.0697","0.0711","","","","","","1.035","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243937","5.825","0.0003","17.3293","0.0008","9.7547","0.0004","90","","97.072","0.002","90","","977.18","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F2 N5 O S -","- C22 H17 F2 N5 O S -","- C44 H34 F4 N10 O2 S2 -","2","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0269","0.0258","","","0.0655","0.0663","","","","","","1.053","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243938","6.1215","0.0003","11.1722","0.0005","34.3989","0.0017","90","","90","","90","","2352.56","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F2 N5 O5 P S -","- C22 H20 F2 N5 O5 P S -","- C88 H80 F8 N20 O20 P4 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0292","0.0276","","","0.066","0.067","","","","","","1.062","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243939","17.497","0.005","17.497","0.005","17.497","0.005","90","","90","","90","","5357","3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","zinc;2-methylimidazol-3-ide","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1644","0.1137","","","0.2787","0.3136","","","","","","1.089","","","","has coordinates,has disorder","283751","2023-05-14","07:37:52",""
"7243940","7.0688","0.0011","7.0688","0.0011","4.157","0.0016","90","","90","","90","","207.72","0.09","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1652","0.1652","","","0.4466","0.4466","","","","","","3.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243941","13.507","0.01","11.432","0.007","11.114","0.009","90","","109.81","0.07","90","","1615","2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-tripyridin-4-yl-1,3,5-triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2375","0.19","","","0.4192","0.4328","","","","","","2.477","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243942","5.1022","0.0018","13.858","0.005","14.596","0.005","90","","90","","90","","1032","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","- C9 H12 N3 O5 -","- C9 H12 N3 O5 -","- C36 H48 N12 O20 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1583","0.0988","","","0.2293","0.2634","","","","","","1.044","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243943","7.8","0.5","20.2","0.2","11.5","0.2","90","","90","","90","","1812","12","293","","293","","","","","","","","","2","P n a 21","P 2c -2n","33","","1,3,5-triphenylbenzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1722","0.1067","","","0.2658","0.3098","","","","","","1.031","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243944","6.66","0.19","13.2","0.3","26.77","0.12","90","","90","","90","","2353","9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide","","- C23 H36 N2 O2 -","- C23 H36 N2 O2 -","- C92 H144 N8 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1799","0.1351","","","0.2804","0.3083","","","","","","1.086","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243945","9.146","0.004","9.99","0.005","13.028","0.005","93.78","0.04","97","0.04","101.72","0.04","1151.8","0.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.208","0.1545","","","0.3466","0.3697","","","","","","2.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243946","8.302","0.003","10.025","0.006","10.638","0.006","115.25","0.06","91.67","0.05","95.51","0.04","794.7","0.8","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide","","- C12 H8 F3 N5 O3 S -","- C12 H8 F3 N5 O3 S -","- C24 H16 F6 N10 O6 S2 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2143","0.1602","","","0.363","0.3769","","","","","","2.269","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243947","5.96","0.09","7.09","0.14","21.59","0.15","90","","90","","90","","912","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1455","0.1363","","","0.318","0.3235","","","","","","1.116","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243948","5.177","0.002","10.691","0.005","15.272","0.007","90","","90","","90","","845.3","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1663","0.1194","","","0.3194","0.3469","","","","","","1.156","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243949","7.344","0.005","9.645","0.006","12.087","0.007","90","","97.37","0.05","90","","849.1","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1471","0.1202","","","0.3152","0.3394","","","","","","1.074","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243950","26.34","0.1","7.03","0.1","14.16","0.16","90","","90","","90","","2622","5","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1178","0.092","","","0.2275","0.2452","","","","","","1.111","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243951","9.25","0.12","19.99","0.19","9.66","0.1","90","","111.6","0.8","90","","1661","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Fe N10 -","- C42 H28 Fe N10 -","- C84 H56 Fe2 N20 -","2","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1773","0.1659","","","0.3547","0.3604","","","","","","1.276","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243952","8.1229","0.0002","3.9138","0.0001","15.0718","0.0004","90","","92.013","0.002","90","","478.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl5 I -","- C6 Cl5 I -","- C12 Cl10 I2 -","2","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.028","0.026","","","0.0663","0.0674","","","","","","1.112","","","","has coordinates,has disorder","271828","2022-01-06","21:12:43",""
"7243953","3.9516","0.0001","11.1045","0.0002","12.2703","0.0003","112.085","0.002","91.11","0.002","96.392","0.002","494.72","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.075","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243954","3.9144","0.0001","10.6909","0.0001","12.4925","0.0002","111.51","0.001","93.205","0.001","91.807","0.001","484.858","0.016","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0751","0.0758","","","","","","1.076","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243955","3.9746","0.0001","10.7984","0.0002","12.4426","0.0003","111.056","0.002","93.327","0.002","93.491","0.002","495.61","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0298","0.0281","","","0.0724","0.074","","","","","","1.056","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7244002","5.8675","0.0005","20.1101","0.0016","18.3448","0.0015","90","","98.579","0.004","90","","2140.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu Fe N2 O5 -","- C24 H22 Cu Fe N2 O5 -","- C96 H88 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.0519","0.0408","","","0.0959","0.1002","","","","","","1.093","","","","has coordinates","271117","2021-12-05","01:08:58",""
"7244003","6.34","0.03","15.31","0.05","23.14","0.09","90","","84.1","0.3","90","","2234","16","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co Fe N2 O4.48 -","- C23.4 H22 Co Fe N2 O3.277 -","- C93.6 H88 Co4 Fe4 N8 O13.108 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.2529","","","","","","","has coordinates","271117","2021-12-05","01:09:19",""
"7244004","5.707","0.01","25.67","0.05","14.37","0.03","90","","97.07","0.05","90","","2089","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu Fe N2 O5 -","- C24 H18 Cu Fe N2 O5 -","- C96 H72 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.1057","0.0599","","","0.1285","0.1501","","","","","","1.135","","","","has coordinates","271117","2021-12-05","01:09:22",""
"7244005","5.9086","0.0003","16.8542","0.0008","21.1889","0.0012","90","","92.684","0.005","90","","2107.78","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cd Fe N2 O4.5 -","- C24 H21 Cd Fe N2 O4.5 -","- C96 H84 Cd4 Fe4 N8 O18 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0354","0.0315","","","0.0782","0.0799","","","","","","1.061","","","","has coordinates,has disorder","271117","2021-12-05","01:09:23",""
"7244006","10.2015","0.0008","12.2977","0.0006","13.0982","0.0005","105.694","0.004","92.706","0.005","93.349","0.005","1575.88","0.16","99.95","0.1","99.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe N2 O5 Zn -","- C38 H32 Fe N2 O5 Zn -","- C76 H64 Fe2 N4 O10 Zn2 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0385","0.0368","","","0.0993","0.1013","","","","","","1.048","","","","has coordinates","271117","2021-12-05","01:09:25",""
"7244007","23.977","0.011","12.069","0.005","8.344","0.004","90","","90","","90","","2414.6","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H24 Co Fe N2 O6 -","- C24 H24 Co Fe N2 O6 -","- C96 H96 Co4 Fe4 N8 O24 -","4","0.5","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.0912","0.0605","","","0.1042","0.1181","","","","","","1.141","","","","has coordinates","271117","2021-12-05","01:09:28",""
"7244008","10.241","0.006","12.46","0.009","13.234","0.009","106.27","0.03","91.968","0.017","93.26","0.02","1616.2","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Co Fe N2 O5 -","- C38 H32 Co Fe N2 O5 -","- C76 H64 Co2 Fe2 N4 O10 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.2261","0.0925","","","0.1296","0.1775","","","","","","1.073","","","","has coordinates","271117","2021-12-05","01:09:31",""
"7244009","10.7394","0.0004","12.0118","0.0005","12.6687","0.0003","77.694","0.003","78.073","0.003","79.98","0.003","1547.74","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu Fe N2 O4 -","- C38 H30 Cu Fe N2 O4 -","- C76 H60 Cu2 Fe2 N4 O8 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.54184","CuKα","","0.0348","0.0324","","","0.0854","0.0873","","","","","","1.063","","","","has coordinates,has disorder","271117","2021-12-05","01:09:32",""