# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-13T22:05:43+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 = 20 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
"1549180","7.4785","0.0002","21.4405","0.0005","9.022","0.0002","90","","94.218","0.002","90","","1442.69","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N8 O6 Pb2 -","- C28 H24 N8 O6 Pb2 -","- C56 H48 N16 O12 Pb4 -","2","0.5","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","x-ray","0.71073","MoKα","","0.0226","0.018","","","0.0423","0.043","","","","","","1.043","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549181","8.5997","0.0009","10.9376","0.0007","11.7938","0.0012","72.684","0.007","80.451","0.009","82.758","0.007","1040.9","0.17","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N6 O3 Pb2 S2 -","- C16 H12 N6 O3 Pb2 S2 -","- C32 H24 N12 O6 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.0285","0.0249","","","0.0555","0.0574","","","","","","1.042","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549182","6.6742","0.0006","7.8985","0.0007","16.794","0.0015","82.614","0.005","81.44","0.005","65.269","0.005","792.99","0.13","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.1228","0.0897","","","0.2154","0.2394","","","","","","1.11","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549183","15.4161","0.0005","13.7171","0.0005","14.9481","0.0005","90","","94.944","0.003","90","","3149.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N10 O3 Pb S2 -","- C28 H26 N10 O3 Pb S2 -","- C112 H104 N40 O12 Pb4 S8 -","4","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.056","0.0291","","","0.0559","0.058","","","","","","0.845","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549188","10.056","0.003","10.056","0.003","10.07","0.002","90","","90","","120","","881.9","0.4","333","","333","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H4 Br2 Cl2 -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.2171","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549189","9.9153","0.0017","17.412","0.004","10.0478","0.0017","90","","101.966","0.009","90","","1697","0.6","303","","303","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C62 H4 Br2 Cl2 -","- C62 H4 Br2 Cl2 -","- C124 H8 Br4 Cl4 -","2","0.25","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549717","25.386","0.003","25.15","0.003","17.6282","0.0017","90","","114.178","0.003","90","","10268","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48.9 N6.5 O16.2 Zn2 -","- C28 H12 N2 O12 Zn2 -","- C224 H96 N16 O96 Zn16 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1643","0.0798","","","0.2117","0.2465","","","","","","1.005","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1549718","26.4534","0.0015","24.3372","0.0013","17.6488","0.0008","90","","109.622","0.002","90","","10702.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.15 H54.35 Cd2 N6.05 O16.05 -","- C28 H12 Cd2 N2 O12 -","- C224 H96 Cd16 N16 O96 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1268","0.0667","","","0.1764","0.2066","","","","","","1.032","","","","has coordinates","228970","2020-10-21","18:00:00",""
"7229477","8.13783","0.00015","11.6634","0.0002","13.498","0.0003","93.4739","0.0009","96.731","0.001","103.882","0.0011","1229.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C56 H44 N4 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1037","0.0703","","","0.1761","0.2066","","","","","","1.043","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229478","8.62524","0.00016","12.5088","0.0002","13.0025","0.0002","87.7507","0.0011","79.534","0.001","85.0219","0.0011","1373.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O6 S2 -","- C31 H27 N3 O6 S2 -","- C62 H54 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0683","0.0521","","","0.1435","0.1574","","","","","","1.072","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229479","11.4757","0.0005","12.2489","0.0005","12.7795","0.0006","85.3743","0.0019","76.109","0.0018","70.8493","0.0019","1647.3","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.2328","0.123","","","0.3184","0.4139","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229480","10.9957","0.0008","12.0694","0.0011","12.8047","0.0007","85.373","0.006","73.757","0.005","75.131","0.005","1576.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0926","0.0601","","","0.154","0.1973","","","","","","1.011","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229481","10.9459","0.0002","12.1089","0.0002","12.9588","0.0003","84.1094","0.0013","72.953","0.0013","74.0952","0.0013","1578.8","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0696","0.0568","","","0.1685","0.1753","","","","","","1.14","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229482","11.0418","0.0005","12.4363","0.0005","12.5998","0.0005","88.953","0.002","77.1337","0.0019","77.137","0.002","1643.53","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1382","0.0848","","","0.2278","0.2879","","","","","","1.102","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229483","11.6922","0.0002","20.8466","0.0004","13.0536","0.0002","90","","101.529","0.0007","90","","3117.53","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O6 S2 -","- C34 H34 N2 O6 S2 -","- C136 H136 N8 O24 S8 -","4","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0501","0.0439","","","0.1091","0.1125","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229484","8.70878","0.00016","12.5376","0.0002","12.6766","0.0002","86.7619","0.0009","79.087","0.0008","86.3097","0.0011","1354.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N3 O6 S2 -","- C30 H25 N3 O6 S2 -","- C60 H50 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0661","0.0514","","","0.1429","0.1506","","","","","","1.104","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229485","14.0762","0.0003","11.0705","0.0002","23.2945","0.0005","90","","92.1146","0.001","90","","3627.52","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 N4 O10 S4 -","- C78 H96 N4 O10 S4 -","- C156 H192 N8 O20 S8 -","2","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1221","0.087","","","0.2155","0.2324","","","","","","0.994","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229486","10.9203","0.0002","11.9997","0.0002","12.8965","0.0002","84.6483","0.001","73.4045","0.0009","75.8535","0.001","1569.95","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0499","0.0419","","","0.1131","0.1254","","","","","","1.098","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229487","11.2092","0.0004","12.181","0.0004","12.8326","0.0004","85.505","0.0017","74.8198","0.0018","73.1335","0.0018","1618.27","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1313","0.0966","","","0.27","0.3241","","","","","","1.097","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229488","10.9315","0.0002","12.0707","0.0002","12.7651","0.0002","84.8346","0.0007","72.9469","0.0007","75.4678","0.0007","1558.54","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H70 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0599","0.0473","","","0.1262","0.1341","","","","","","1.094","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229489","14.1225","0.0003","17.0279","0.0003","17.493","0.0003","81.2059","0.0011","69.2791","0.0011","72.4461","0.001","3746.3","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cl3 N4 O10 S4 -","- C77 H93 Cl3 N4 O10 S4 -","- C154 H186 Cl6 N8 O20 S8 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1338","0.0818","","","0.1783","0.2007","","","","","","0.825","","","","has coordinates,has disorder","228934","2020-10-21","18:00:00",""
"7229504","10.875","0.003","13.212","0.003","13.585","0.004","90","","101.227","0.003","90","","1914.5","0.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Co2 N4 O12 -","- C36 H50 Co2 N4 O12 -","- C72 H100 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.097","0.0759","","","0.2008","0.2199","","","","","","1.048","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229505","11.1974","0.0008","14.7981","0.001","12.0119","0.0008","90","","112.731","0.001","90","","1835.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Cd2 N4 O11 -","- C35 H46 Cd2 N4 O11 -","- C70 H92 Cd4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0325","0.0288","","","0.0641","0.0675","","","","","","1.03","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229506","10.3191","0.0013","13.4103","0.0016","13.1239","0.0016","90","","93.368","0.002","90","","1813","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Co2 N4 O11 -","- C35 H46 Co2 N4 O11 -","- C70 H92 Co4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0549","0.0434","","","0.1093","0.1173","","","","","","1.037","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229507","11.653","0.006","13.074","0.006","13.802","0.007","90","","105.036","0.006","90","","2030.8","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Co2 N4 O12 -","- C37 H52 Co2 N4 O12 -","- C74 H104 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.1418","0.0881","","","0.2035","0.2365","","","","","","1.025","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229508","13.2458","0.001","10.4071","0.0008","19.9682","0.0015","90","","91.592","0.001","90","","2751.6","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H73 Cd2 N8 O17 -","- C52 H73 Cd2 N8 O17 -","- C104 H146 Cd4 N16 O34 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","x-ray","0.71073","MoKα","","0.0408","0.0366","","","0.0866","0.09","","","","","","1.054","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229534","7.5875","0.0006","11.9287","0.0008","15.8232","0.0013","82.931","0.003","78.678","0.002","75.529","0.003","1355.58","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide, 1,4-dioxane solvate","","- C29 H28 N3 O5 S -","- C29 H29 N3 O5 S -","- C58 H58 N6 O10 S2 -","2","1","","Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam","Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin","CrystEngComm","2018","20","2","150","","10.1039/C7CE01697B","","","0.71073","MoKα","","0.0671","0.044","","","0.1084","0.1223","","","","","","1.028","","","","has coordinates","229003","2020-10-21","18:00:00",""
"7229561","6.021","0.0005","12.32","0.0009","13.294","0.001","77.871","0.001","77.259","0.001","79.486","0.001","930.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71069","MoKα","","0.0275","0.023","","","0.0538","0.0559","","","","","","1.036","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229562","12.3636","0.0005","13.0466","0.0005","14.4949","0.0005","106.06","0.001","97.818","0.001","111.813","0.001","2009.83","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0343","0.0283","","","0.0711","0.0744","","","","","","1.035","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229563","25.9299","0.0017","9.8335","0.0006","24.7101","0.0016","90","","117.076","0.002","90","","5610.1","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H53 Co3 Cr Mo6 N6 O46 -","- C25 H48.9998 Co3 Cr Mo6 N6 O46 -","- C100 H195.999 Co12 Cr4 Mo24 N24 O184 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0551","0.034","","","0.0653","0.0717","","","","","","1.011","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229564","9.624","0.002","13.716","0.004","14.061","0.003","61.168","0.004","70.68","0.005","88.297","0.005","1515.4","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H53 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0664","0.0547","","","0.155","0.1641","","","","","","1.001","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229565","26.323","0.002","9.8415","0.0009","25.627","0.003","90","","117.922","0.001","90","","5866","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Cu3 Mo6 N6 O45 -","- C24 H44 Cl Cr Cu3 Mo6 N6 O45 -","- C96 H176 Cl4 Cr4 Cu12 Mo24 N24 O180 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0659","0.0388","","","0.0891","0.1","","","","","","1.032","","","","has coordinates","228930","2020-10-21","18:00:00",""
"7229607","16.744","0.0005","8.987","0.0002","31.956","0.0011","90","0.0017","101.227","0.0016","90","0.0017","4716.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C192 H320 Fe8 P16 -","8","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.7107","MoKα","","0.0347","0.0307","","","0.0813","0.0839","","","","","","1.052","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229608","14.3675","0.0016","8.2658","0.001","18.64","0.0016","90","","123.87","0.006","90","","1838","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N3 O9.5 Tb -","- C18 H11 N3 O9.25 Tb -","- C72 H44 N12 O37 Tb4 -","4","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.71073","MoKα","","0.0289","0.0272","","","0.0629","0.0636","","","","","","1.086","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229609","9.6487","0.0015","5.2866","0.0007","11.1382","0.0019","90","","110.361","0.005","90","","532.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Synthesis of 1-(4-fluorphenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0432","0.0351","","","0.087","0.0913","","","","","","1.058","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229610","5.4917","0.0005","16.1489","0.0013","12.4976","0.001","90","","100.382","0.007","90","","1090.2","0.16","295","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(phenyl)triazene N3-hyroxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","","0.71073","MoKα","","0.2174","0.0687","","","0.1464","0.2041","","","","","","0.998","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229611","6.168","0.0009","9.574","0.0016","19.477","0.003","90","","96.539","0.009","90","","1142.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.1158","0.066","","","0.166","0.1886","","","","","","1.015","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229612","6.2398","0.0003","9.7185","0.0005","19.5527","0.001","90","","96.462","0.002","90","","1178.17","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-bromophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C48 H40 Br4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0612","0.0336","","","0.0646","0.0727","","","","","","1.005","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229613","4.7465","0.0003","9.9491","0.0006","26.6177","0.0014","90","","90","","90","","1256.98","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-iodophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 I N3 O -","- C12 H10 I N3 O -","- C48 H40 I4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0854","0.0466","","","0.1145","0.1316","","","","","","1.037","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229622","8.771","0.008","8.771","0.008","26.13","0.02","90","","90","","90","","2010","3","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au3.56 Ba Ga8.44 -","- Au3.56 Ba Ga8.44 -","- Au28.48 Ba8 Ga67.52 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0937","0.0672","","","0.1437","0.1602","","","","","","1.106","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229623","7.33","0.009","7.33","0.009","14.105","0.017","90","","90","","90","","757.8","1.6","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.41 Gd2 Sb3.59 -","- Au11.41 Gd2 Sb3.59 -","- Au22.82 Gd4 Sb7.18 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0929","0.1024","","","","","","1.019","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229624","7.307","0.0006","7.307","0.009","14.0497","0.0014","90","","90","","90","","750.1","0.9","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.98 Gd2 Sb3.02 -","- Au11.98 Gd2 Sb3.02 -","- Au23.96 Gd4 Sb6.04 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0689","0.0462","","","0.1039","0.1155","","","","","","1.054","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229625","8.774","0.001","8.774","0.001","26.064","0.004","90","","90","","90","","2006.5","0.4","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4.38 Ba Ga7.62 -","- Au4.372 Ba Ga7.628 -","- Au34.976 Ba8 Ga61.024 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0939","0.0733","","","0.1587","0.1687","","","","","","1.164","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229628","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229629","5.56","0.005","14.516","0.013","16.611","0.015","90","","93.872","0.016","90","","1338","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2","(E)-2-(5-(2-(thiophen-2-yl)vinyl)-thiophen-2-yl)-ethene-1,1,2-tricarbonitrile","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C60 H28 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0567","0.0363","","","0.0833","0.093","","","","","","1.071","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229630","9.1187","0.0016","10.6243","0.0018","16.361","0.003","73.912","0.003","82.666","0.003","70.835","0.003","1437.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","3","(E)-2-(3,4-dibu-tyl-5-(2-(3,4-dibutylthiophen-2-yl)vinyl)thiophen-2-yl) ethene-1,1,2-tricarbo-nitrile","","- C31 H39 N3 S2 -","- C31 H39 N3 S2 -","- C62 H78 N6 S4 -","2","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.1038","0.0649","","","0.1444","0.1611","","","","","","1.042","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229635","25.4312","0.00012","25.4312","0.00012","6.06772","0.00003","90","","90","","90","","3924.27","0.03","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","C12 H22 N4 O2, C6 H6 O2","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C144 H224 N32 O32 -","8","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7267","9.52","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229636","29.624","0.0017","6.0611","0.0002","8.6488","0.0003","90","","101.974","0.004","90","","1519.14","0.12","333","","333","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","0.039","10.589","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229637","16.185","0.014","29.012","0.018","6.093","0.004","90","","90","","90","","2861","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C96 H176 N32 O16 -","8","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.095","0.0695","","","0.1901","0.2027","","","","","","1.137","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229638","6.0552","0.0003","14.4565","0.0008","15.8765","0.0009","90","","97.773","0.002","90","","1377.01","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N?-bis(2-(dimethylamino)ethyl)squaramide","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.0531","0.0445","","","0.1136","0.1215","","","","","","1.076","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229639","7.0282","0.0006","9.9007","0.0008","17.2379","0.0015","90","","90","","90","","1199.48","0.18","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0675","0.0698","","","","","","1.03","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229640","6.0781","0.0003","10.8821","0.0006","17.8535","0.001","90","","90","","90","","1180.87","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0229","0.0228","","","0.0595","0.0596","","","","","","1.072","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229641","6.1053","0.0004","10.9507","0.0007","18.1001","0.0011","90","","90","","90","","1210.12","0.13","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0444","0.0369","","","0.0887","0.1008","","","","","","1.165","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229642","9.7371","0.0002","9.7371","0.0002","22.4924","0.0005","90","","90","","120","","1846.82","0.07","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","potassium manganese(II) oxalatophosphite","","- C2 H6 K2 Mn2 O12 P2 -","- C2 H6 K2 Mn2 O12 P2 -","- C12 H36 K12 Mn12 O72 P12 -","6","0.5","","Orive, Joseba; Sivasamy, Ramesh; Fernández de Luis, Roberto; Mosquera, Edgar; Arriortua, María I.","K2MnII2(H2O)2C2O4(HPO3)2: a new 2D manganese(ii) oxalatophosphite with double-layered honeycomb sheets stabilized by potassium ions","CrystEngComm","2018","20","3","301","","10.1039/C7CE01637A","","x-ray","0.71073","MoKα","","0.0259","0.0241","","","0.0529","0.054","","","","","","1.053","","","","has coordinates","229160","2020-10-21","18:00:00",""
"7229643","43.386","0.006","4.9901","0.0007","15.449","0.002","90","","97.972","0.004","90","","3312.4","0.8","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 N2 -","- C43 H46 N2 -","- C172 H184 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1702","0.0678","","","0.1204","0.1532","","","","","","1.005","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229644","16.811","0.002","16.372","0.002","15.924","0.002","90","","113.537","0.002","90","","4018.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Cu N2 -","- C43 H48 Cl4 Cu N2 -","- C172 H192 Cl16 Cu4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.1173","0.0916","","","0.2332","0.2536","","","","","","1.057","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229645","16.826","0.016","16.442","0.016","15.963","0.015","90","","112.175","0.011","90","","4090","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Co N2 -","- C43 H48 Cl4 Co N2 -","- C172 H192 Cl16 Co4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0686","0.0478","","","0.1236","0.1355","","","","","","1.038","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229646","16.92","0.003","16.352","0.003","16.032","0.003","90","","113.205","0.002","90","","4076.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cd Cl4 N2 -","- C43 H48 Cd Cl4 N2 -","- C172 H192 Cd4 Cl16 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0704","0.0536","","","0.1363","0.1457","","","","","","1.058","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229647","11.3233","0.0012","11.3295","0.0011","16.0792","0.0016","92.539","0.003","95.904","0.003","96.359","0.003","2036","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 Cl2 N2 O2 -","- C45 H48 Cl2 N2 O2 -","- C90 H96 Cl4 N4 O4 -","2","1","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1693","0.1368","","","0.4093","0.4515","","","","","","1.97","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229660","5.7537","0.0006","9.6831","0.0011","20.806","0.002","90","","90","","90","","1159.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C52 H52 N4 O4 Se4 -","4","1","","Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel","A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material.","CrystEngComm","2018","20","1","12","16","10.1039/c7ce01925d","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.03","0.0306","","","","1.56","1.56","1.52","","","","has coordinates","228932","2020-10-21","18:00:00",""
"7229662","11.5785","0.0004","10.1983","0.0004","6.3875","0.0002","90","","90","","90","","754.24","0.05","305","0.1","305","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0487","0.036","","","0.1079","0.1114","","","","","","1.098","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229663","11.2102","0.0003","10.0001","0.0003","6.33101","0.00016","90","","90","","90","","709.73","0.03","85","0.5","85","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0144","0.0122","","","0.0314","0.0318","","","","","","1.148","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229664","10.618","0.003","9.5461","0.0003","5.9958","0.0002","90","","90","","90","","607.74","0.17","295","2","295","2","","","3190000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0251","0.0201","","","0.0566","0.0601","","","","","","1.137","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229665","10.502","0.003","9.4708","0.0003","5.93353","0.00019","90","","90","","90","","590.16","0.17","295","2","295","2","","","4020000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.024","0.019","","","0.0406","0.0434","","","","","","1.213","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229666","10.864","0.016","9.7573","0.0012","6.1183","0.0007","90","","90","","90","","648.6","1","295","2","295","2","","","1600000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.1526","0.0706","","","0.161","0.2183","","","","","","1.048","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229667","11.5358","0.0004","10.1791","0.0003","6.4013","0.0002","90","","90","","90","","751.67","0.04","293","0.1","293","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0373","0.0286","","","0.0889","0.0911","","","","","","1.121","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229668","11.2254","0.0002","10.0086","0.0002","6.33713","0.00014","90","","90","","90","","711.98","0.02","100","0.1","100","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0155","0.0128","","","0.0331","0.0442","","","","","","1.397","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229682","9.1366","0.0003","9.1366","0.0003","14.4247","0.0011","90","","90","","120","","1042.81","0.09","295","2","295","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mn N6 -","- C6 H24 Ag2 I4 Mn N6 -","- C12 H48 Ag4 I8 Mn2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0186","0.0181","","","0.0386","0.0388","","","","","","1.199","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229683","9.0744","0.0008","9.0744","0.0008","14.453","0.002","90","","90","","120","","1030.68","0.19","273","2","273","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mg N6 -","- C6 H24 Ag2 I4 Mg N6 -","- C12 H48 Ag4 I8 Mg2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0176","0.0174","","","0.0342","0.0343","","","","","","1.171","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229684","8.8986","0.0017","7.9933","0.0015","14.175","0.003","90","","97.628","0.003","90","","999.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0572","0.0445","","","0.1081","0.1163","","","","","","1.052","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229685","3.671","0.003","7.594","0.005","13.772","0.01","95.723","0.008","93.218","0.008","97.153","0.008","378.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C16 H14 N4 O6 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0506","0.0424","","","0.1158","0.1224","","","","","","1.076","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229686","17.184","0.015","7.328","0.005","13.045","0.009","90","","111.257","0.01","90","","1531","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-triamino-1,3,5-triazin-1-ium 2-(4-cyanopyridin-1-ium-1-yl)fumarate hydrate","","- C13 H14 N8 O5 -","- C13 H14 N8 O5 -","- C52 H56 N32 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1228","0.056","","","0.1285","0.1593","","","","","","1.055","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229687","7.2047","0.0011","7.5455","0.0011","10.8058","0.0016","91.8","0.002","100.509","0.002","115.757","0.002","516.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-4-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0342","0.0317","","","0.0854","0.0875","","","","","","1.048","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229688","5.7312","0.0005","12.3326","0.001","12.8974","0.0011","71.53","0.002","86.574","0.003","89.673","0.003","863.01","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(3-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H18 N8 O7 -","- C13 H18 N8 O7 -","- C26 H36 N16 O14 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1008","0.0719","","","0.1331","0.1448","","","","","","1.103","","","","has coordinates,has disorder","228933","2020-10-21","18:00:00",""
"7229689","8.6886","0.0003","8.9638","0.0003","11.2137","0.0004","94.473","0.002","103.931","0.002","106.657","0.001","801.88","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(4-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H16 N8 O6 -","- C13 H16 N8 O6 -","- C26 H32 N16 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0567","0.0452","","","0.0996","0.1066","","","","","","1.07","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229690","11.4209","0.0002","20.5581","0.0004","9.97928","0.00018","90","","91.597","0.0011","90","","2342.15","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17 F3 N5 O4 S2 -","- C21.5 H17 F3 N5 O4 S2 -","- C86 H68 F12 N20 O16 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0929","0.0627","","","0.1493","0.1669","","","","","","0.892","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229691","11.2994","0.0002","20.5599","0.0004","10.11464","0.00018","90","","92.3835","0.0008","90","","2347.74","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0423","0.0376","","","0.0971","0.1019","","","","","","1.092","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229692","11.2642","0.0002","20.5587","0.0004","10.11845","0.00018","90","","91.9094","0.0007","90","","2341.9","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0467","0.0415","","","0.1034","0.1075","","","","","","1.084","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229693","11.24851","0.00018","20.6292","0.0004","10.0577","0.0002","90","","91.7969","0.0009","90","","2332.72","0.07","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C84 H66 Cl2 F12 N20 O12 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0738","0.0478","","","0.1352","0.1917","","","","","","1.068","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229722","11.8378","0.0003","13.0103","0.0003","16.5916","0.0003","67.729","0.0019","71.634","0.002","78.1997","0.0019","2233.7","0.09","116.95","0.1","116.95","0.1","","","","","","","no","5","P 1","P 1","1","no","salt of titanyl phthalocyanine with tetrapentylammonium cations","","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","1","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.045","0.0379","","","0.092","0.0963","","","","","","1.041","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229723","13.4984","0.0003","24.7177","0.0005","13.8468","0.0003","90","","98.086","0.002","90","","4574.04","0.17","150","2","150","2","","","","","","","no","5","P 1 21/n 1","-P 2yn","14","no","salt of titanyl phthalocyanine with N-mehyldiazabicyclooctanium cation and neutral trypticene molecule","","- C59 H45 N10 O Ti -","- C59 H45 N10 O Ti -","- C236 H180 N40 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1328","0.0455","","","0.0728","0.0814","","","","","","0.733","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229724","22.92","0.0006","11.7027","0.0003","21.2051","0.0006","90","","95.783","0.003","90","","5658.8","0.3","109.95","0.1","109.95","0.1","","","","","","","no","6","C 1 c 1","C -2yc","9","no","salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate","","- C62 H72 Cl2 N9 O V -","- C62 H72 Cl2 N9 O V -","- C248 H288 Cl8 N36 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0521","0.0406","","","0.0835","0.0898","","","","","","1.026","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229725","19.5955","0.0011","17.1171","0.001","19.1812","0.0013","90","","99.444","0.006","90","","6346.5","0.7","150","0.14","150","0.14","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","salt of titanyl phthalocyanine with N-methyldiazabicyclooctanium cation","","- C39 H31 N10 O Ti -","- C39 H30.9997 N10 O Ti -","- C312 H247.998 N80 O8 Ti8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.1149","0.0613","","","0.1229","0.1467","","","","","","1.011","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229726","11.8287","0.0004","13.0419","0.0004","16.6492","0.0005","67.7","0.003","71.527","0.003","78.147","0.002","2243.27","0.14","116.7","0.6","116.7","0.6","","","","","","","no","5","P 1","P 1","1","no","salt of vanadyl phthalocyanine with tetrapentylammonium cation","","- C52 H60 N9 O V -","- C52 H60 N9 O V -","- C104 H120 N18 O2 V2 -","2","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0586","0.0428","","","0.0927","0.1019","","","","","","1.027","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229727","12.5787","0.0007","13.0731","0.0005","25.4452","0.0017","90","","91.733","0.005","90","","4182.4","0.4","130","0.14","130","0.14","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of titanyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O Ti -","- C46 H46 I N12 O Ti -","- C184 H184 I4 N48 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0664","0.0485","","","0.0943","0.1006","","","","","","1.102","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229728","12.5922","0.0003","13.0726","0.0002","25.407","0.0007","90","","91.73","0.002","90","","4180.41","0.17","129.7","0.7","129.7","0.7","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O V -","- C46 H46 I N12 O V -","- C184 H184 I4 N48 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0491","0.0373","","","0.0788","0.0833","","","","","","1.094","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229729","11.8705","0.0005","31.689","0.002","23.8325","0.0009","90","","90","","90","","8964.9","0.8","293","2","293","","","","","","","","no","5","P c c n","-P 2ab 2ac","56","no","salt of vanadyl phthalocyanine radical anions with di(i_propyl)inidazolium cations","","- C41 H33 N10 O V -","- C41 H33 N10 O V -","- C328 H264 N80 O8 V8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1678","0.1294","","","0.3366","0.3624","","","","","","1.04","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229730","23.2181","0.0005","11.4301","0.0002","21.4414","0.0004","90","","96.059","0.002","90","","5658.44","0.19","100","","100","","","","","","","","no","6","P 1 c 1","P -2yc","7","no","salt of titanyl phthalocyanine with tetrahexylammonium cations, o-dichlorobenzene solate","","- C62 H72 Cl2 N9 O Ti -","- C62 H72 Cl2 N9 O Ti -","- C248 H288 Cl8 N36 O4 Ti4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0835","0.0544","","","0.1158","0.1282","","","","","","1.026","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229734","13.485","0.003","16.959","0.003","29.331","0.006","96.95","0.03","101.33","0.03","111.95","0.03","5959","3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0662","0.043","","","0.0808","0.1062","","","","","","1.14","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229735","13.4179","0.0016","16.9025","0.0005","29.074","0.005","97.12","0.006","101.305","0.001","112.265","0.006","5839.3","1.3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71075","MoKα","","0.0663","0.0406","","","0.0935","0.1072","","","","","","1.077","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229736","12.436","0.003","23.39","0.005","21.007","0.004","90","","99.67","0.03","90","","6024","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 I10 O8 S8 Tb -","- C16 H30 Ag7 I10 O8 S8 Tb -","- C64 H120 Ag28 I40 O32 S32 Tb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0607","0.0403","","","0.0895","0.1097","","","","","","1.15","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229737","17.574","0.003","14.937","0.003","22.48","0.008","90","","122.31","0.02","90","","4987","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 Ag5 I8 O7 S7 Yb -","- C14 H36 Ag5 I8 O7 S7 Yb -","- C56 H144 Ag20 I32 O28 S28 Yb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0778","0.0552","","","0.1031","0.1165","","","","","","1.219","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229738","12.328","0.002","23.283","0.004","20.87","0.004","90","","100.055","0.005","90","","5898.4","1.8","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0601","0.0471","","","0.0869","0.1049","","","","","","1.125","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229739","12.426","0.003","23.378","0.005","20.998","0.004","90","","99.61","0.03","90","","6014","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Dy I10 O8 S8 -","- C16 H48 Ag7 Dy I10 O8 S8 -","- C64 H192 Ag28 Dy4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0594","0.0339","","","0.0806","0.0991","","","","","","1.127","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229740","18.8501","0.0004","14.1221","0.0003","7.4387","0.0002","90","","90","","90","","1980.2","0.08","298","","298","","","","","","","","","7","I m m m","-I 2 2","71","As_made_FER","","","- C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33 -","- C1.75 H1.8994 Al0.16605 N0.34968 Na0.1662 O9 Si4.33395 -","- C14 H15.1952 Al1.3284 N2.79744 Na1.3296 O72 Si34.6716 -","8","0.5","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","'CuKalpha1'","","","","","","","","","0.0228","3.256","","","","","","","has coordinates","229012","2020-10-21","18:00:00",""
"7229741","18.7891","0.0005","14.0936","0.0003","7.4327","0.0002","90","","90","","90","","1968.22","0.09","298","","298","","","","","","","","","6","I m m m","-I 2 2","71","H_FER_Py","zeolite","","- C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67 -","- C0.9378 H1.1875 Al0.3321 N0.1872 O18.562 Si8.6679 -","- C3.7512 H4.75 Al1.3284 N0.7488 O74.248 Si34.6716 -","4","0.25","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.02529","5.215","","","","","","","has coordinates,has disorder","229012","2020-10-21","18:00:00",""
"7229742","6.1256","0.0012","7.9158","0.0016","9.5663","0.0019","90","","103.29","0.03","90","","451.44","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.037","0.0314","","","0.0728","0.0761","","","","","","1.037","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229743","6.25","0.012","8.164","0.016","9.64","0.02","90","","101.49","0.04","90","","482","1.7","363","2","363","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.2346","0.191","","","0.4587","0.4877","","","","","","1.011","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229744","6.0331","0.0012","7.8583","0.0016","9.5127","0.0019","90","","103.67","0.03","90","","438.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.056","0.045","","","0.0996","0.1054","","","","","","1.06","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229745","6.149","0.018","8.012","0.002","9.507","0.003","90","","101.19","0.02","90","","459.5","1.4","368","2","368","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.3247","0.2759","","","0.5531","0.5892","","","","","","1.075","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229746","21.813","0.004","23.683","0.005","28.76","0.006","90","","100.81","0.03","90","","14594","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58.5 H55 Cu Dy F30 N4 O16 -","- C55 H47 Cu Dy F30 N4 O16 -","- C440 H376 Cu8 Dy8 F240 N32 O128 -","8","2","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.059","0.0457","","","0.1448","0.1606","","","","","","1.058","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229747","19.99","0.004","20.024","0.003","21.706","0.004","91.033","0.001","107.294","0.002","114.857","0.002","7424","2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H97 Cu Dy3 F66 N8 O35 -","- C115 H95 Cu Dy3 F66 N8 O34 -","- C230 H190 Cu2 Dy6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0686","0.0539","","","0.127","0.142","","","","","","0.996","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229748","19.935","0.007","19.977","0.007","21.785","0.007","107.398","0.005","90.257","0.005","114.428","0.005","7455","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 Ho3 N8 O34 -","- C119 H95 Cu F66 Ho3 N8 O34 -","- C238 H190 Cu2 F132 Ho6 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0682","0.0396","","","0.0855","0.1163","","","","","","1.01","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229749","20.257","0.004","43.633","0.008","20.173","0.004","90","","113.798","0.004","90","","16314","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Pr3 -","- C135 H103 Cu F66 N8 O34 Pr3 -","- C540 H412 Cu4 F264 N32 O136 Pr12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.073","0.058","","","0.1517","0.1638","","","","","","0.982","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229750","20.18","0.003","43.634","0.008","20.077","0.003","90","","113.362","0.003","90","","16229","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu Eu3 F66 N8 O34 -","- C135 H103 Cu Eu3 F66 N8 O34 -","- C540 H412 Cu4 Eu12 F264 N32 O136 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0539","0.0427","","","0.0938","0.0995","","","","","","1.04","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229751","20.197","0.003","43.511","0.006","20.091","0.003","90","","113.503","0.003","90","","16191","4","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Sm3 -","- C135 H103 Cu F66 N8 O34 Sm3 -","- C540 H412 Cu4 F264 N32 O136 Sm12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0653","0.053","","","0.1455","0.155","","","","","","0.997","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229752","19.914","0.004","19.939","0.004","21.671","0.004","90.024","0.001","107.316","0.002","114.248","0.003","7415","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 N8 O34 Yb3 -","- C119 H95 Cu F66 N8 O34 Yb3 -","- C238 H190 Cu2 F132 N16 O68 Yb6 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0561","0.0441","","","0.0883","0.0941","","","","","","1.003","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229753","19.923","0.004","19.96","0.004","21.718","0.004","90.187","0.002","107.28","0.002","114.422","0.002","7429","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu Er3 F66 N8 O34 -","- C119 H95 Cu Er3 F66 N8 O34 -","- C238 H190 Cu2 Er6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0752","0.0601","","","0.1574","0.1702","","","","","","0.981","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229756","8.4013","0.0017","16.424","0.003","13.536","0.003","90","","104.34","0.03","90","","1809.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H61 Cl N2 O7 S -","- C33 H61 Cl N2 O7 S -","- C66 H122 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0647","0.048","","","0.0832","0.0903","","","","","","1.018","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229757","8.3555","0.0017","16.471","0.003","13.319","0.003","90","","105.13","0.03","90","","1769.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H59 Cl N2 O7 S -","- C32 H59 Cl N2 O7 S -","- C64 H118 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0595","0.0436","","","0.0926","0.1005","","","","","","0.964","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229758","7.722","0.003","10.406","0.004","10.43","0.004","104.916","0.004","103.692","0.004","100.579","0.004","759.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N O8 -","- C14 H16 Cu N O8 -","- C28 H32 Cu2 N2 O16 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.068","0.0499","","","0.1287","0.1385","","","","","","1.101","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229759","25.368","0.005","16.9","0.003","14.759","0.004","90","","96.855","0.003","90","","6282","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.01 Cu5 N4 O24 -","- C56 H45.014 Cu5 N4 O24 -","- C224 H180.056 Cu20 N16 O96 -","4","0.5","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.195","0.0777","","","0.1918","0.2358","","","","","","0.943","","","","has coordinates,has disorder","228955","2020-10-21","18:00:00",""
"7229760","7.7303","0.0009","10.2721","0.0012","19.828","0.002","100.406","0.001","93.79","0.001","99.123","0.001","1521.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu2 N2 O16 -","- C28 H32 Cu2 N2 O16 -","- C56 H64 Cu4 N4 O32 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.0578","0.0399","","","0.1037","0.1113","","","","","","1.044","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229766","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0831","0.0894","","","","","","1.066","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229767","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.02","0.014","","","","0.012","","","","","","1.285","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229768","7.9966","0.0005","9.5422","0.0007","15.2152","0.0008","90","","97.623","0.006","90","","1150.74","0.13","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br2 N2 Ni O4 -","- C20 H22 Br2 N2 Ni O4 -","- C40 H44 Br4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0812","0.0463","","","0.1076","0.1204","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229769","6.1501","0.0004","8.7162","0.0007","10.796","0.0008","100.733","0.006","97.813","0.006","101.437","0.007","548.26","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","x-ray","0.71073","MoKα","","0.0439","0.033","","","0.077","0.0818","","","","","","1.052","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229770","6.3212","0.0005","8.9502","0.0007","10.0197","0.0008","100.977","0.007","100.919","0.007","99.073","0.006","535.27","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0498","0.0388","","","0.0813","0.0859","","","","","","1.061","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229771","6.329","0.0005","8.9473","0.0006","10.2742","0.0007","100.396","0.006","101.149","0.007","100.044","0.006","548.09","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.049","0.0354","","","0.0807","0.0864","","","","","","1.032","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229772","9.1894","0.0002","9.987","0.0003","13.4819","0.0005","73.422","0.003","71.424","0.003","85.191","0.002","1124.05","0.06","296","3","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 Ni O4 -","- C20 H22 Cl2 N2 Ni O4 -","- C40 H44 Cl4 N4 Ni2 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0438","0.0336","","","0.083","0.0882","","","","","","1.041","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229773","8.0225","0.0002","9.6265","0.0002","15.4896","0.0003","90","","96.406","0.002","90","","1188.77","0.05","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I2 N2 Ni O4 -","- C20 H22 I2 N2 Ni O4 -","- C40 H44 I4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0407","0.0352","","","0.0881","0.0921","","","","","","1.067","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229774","6.349","0.0003","9.2589","0.0005","10.2457","0.0004","102.659","0.005","100.162","0.004","98.163","0.004","568.11","0.05","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0349","0.0287","","","0.0623","0.0662","","","","","","1.065","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229775","7.9717","0.0005","9.7058","0.0004","15.4552","0.0005","90","","96.71","0.004","90","","1187.6","0.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co I2 N2 O4 -","- C20 H22 Co I2 N2 O4 -","- C40 H44 Co2 I4 N4 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0576","0.0423","","","0.1073","0.1168","","","","","","1.066","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229776","6.3513","0.0009","9.256","0.0011","10.3631","0.0008","102.241","0.008","100.737","0.009","98.708","0.011","573.27","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0467","0.0329","","","0.0765","0.0848","","","","","","1.046","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229777","9.0807","0.0005","10.2369","0.0006","13.0194","0.0008","74.91","0.005","74.027","0.005","86.362","0.005","1123.37","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 Co N2 O4 -","- C20 H22 Cl2 Co N2 O4 -","- C40 H44 Cl4 Co2 N4 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0459","0.0341","","","0.0829","0.089","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229778","6.4978","0.0005","8.85","0.0007","10.396","0.0005","100.254","0.005","101.706","0.005","99.895","0.007","562.47","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0468","0.0357","","","0.0794","0.0851","","","","","","1.079","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229779","6.3162","0.0004","8.8584","0.0008","10.1891","0.0005","99.706","0.006","101.645","0.005","100.278","0.007","536.88","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0428","0.0364","","","0.0926","0.0977","","","","","","1.075","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229780","6.3344","0.0004","9.028","0.0008","10.1145","0.0007","101.295","0.007","100.541","0.006","99.102","0.007","546.23","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0415","0.0312","","","0.0632","0.0675","","","","","","1.037","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229781","10.2118","0.0004","10.4135","0.0005","13.6583","0.0006","90","","90","","90","","1452.43","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.018","0.0161","","","0.0362","0.037","","","","","","1.067","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229782","10.2096","0.0007","10.4063","0.0007","13.6629","0.001","90","","90","","90","","1451.6","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.026","0.0203","","","0.037","0.0395","","","","","","1.129","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229783","34.885","0.007","6.497","0.0013","18.207","0.004","90","","94.73","0.03","90","","4112.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C200 H168 N24 O24 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.069","0.0467","","","0.1189","0.1285","","","","","","1.001","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229784","17.341","0.002","9.321","0.002","14.471","0.002","90","","111.962","0.004","90","","2169.3","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0726","0.0427","","","0.1072","0.1184","","","","","","0.986","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229785","9.728","0.0019","9.748","0.0019","12.153","0.002","103.57","0.03","98.82","0.03","99.79","0.03","1081.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C52 H46 N6 O8 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0581","0.0469","","","0.1364","0.1443","","","","","","1.112","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229786","6.868","0.002","8.175","0.002","18.128","0.004","81.203","0.01","86.414","0.007","86.137","0.01","1002.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0816","0.0549","","","0.1431","0.1602","","","","","","1.002","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229787","38.228","0.008","7.21","0.0014","16.916","0.003","90","","110.72","0.03","90","","4360.9","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C208 H184 N24 O32 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0967","0.0501","","","0.1163","0.1297","","","","","","0.9","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229788","10.0684","0.0006","3.758","0.0002","20.6855","0.0012","90","","91.012","0.005","90","","782.56","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.0781","0.0666","","","0.1784","0.2","","","","","","1.148","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229789","9.445","0.003","3.9293","0.0014","20.333","0.008","90","","93.987","0.016","90","","752.8","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1231","0.086","","","0.2242","0.2483","","","","","","1.066","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229790","5.775","0.004","20.795","0.007","6.653","0.003","90","","107.46","0.02","90","","762.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0879","0.0441","","","0.0907","0.116","","","","","","0.902","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229791","6.9111","0.0005","11.5037","0.0009","10.0653","0.0007","90","","104.659","0.008","90","","774.18","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1126","0.0857","","","0.2189","0.2711","","","","","","1.02","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229792","17.286","0.0018","6.1726","0.0008","7.0329","0.0008","90","","92.883","0.01","90","","749.46","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1004","0.0852","","","0.2345","0.2755","","","","","","1.116","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229793","16.87","0.004","3.7774","0.0007","12.01","0.003","90","","95.317","0.011","90","","762","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.073","0.0505","","","0.1457","0.2039","","","","","","1.093","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229794","4.5664","0.0015","11.438","0.003","14.923","0.005","90","","96.382","0.013","90","","774.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0539","0.0437","","","0.1183","0.1269","","","","","","1.045","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229795","4.621","0.0004","14.858","0.0014","11.0496","0.0009","90","","94.614","0.008","90","","756.19","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1031","0.0727","","","0.1846","0.2237","","","","","","1.063","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229796","15.229","0.016","3.914","0.003","13.287","0.011","90","","102.54","0.04","90","","773.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.127","0.0911","","","0.2369","0.2914","","","","","","1.069","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229797","35.4","0.02","3.766","0.002","11.682","0.008","90","","99.19","0.03","90","","1537.4","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C80 H48 F16 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1659","0.1308","","","0.3671","0.4232","","","","","","1.362","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229798","7.4234","0.0007","5.6728","0.0005","36.086","0.003","90","","95.003","0.008","90","","1513.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1574","0.0891","","","0.2245","0.2981","","","","","","1.049","","","","has coordinates,has disorder","229010","2020-10-21","18:00:00",""
"7229799","10.7743","0.0003","13.7731","0.0004","21.4829","0.0006","94.837","0.002","90.373","0.002","95.881","0.002","3159.52","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 Dy2 F12 N2 O12 -","- C64 H49 Dy2 F12 N2 O12 -","- C128 H98 Dy4 F24 N4 O24 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71","MoKα","","0.105","0.0679","","","0.1304","0.1459","","","","","","1.127","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229800","12.3258","0.0002","12.2533","0.0002","23.9816","0.0005","90","","97.764","0.002","90","","3588.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Dy2 N2 O11 -","- C80 H58 Dy2 N2 O11 -","- C160 H116 Dy4 N4 O22 -","2","0.5","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0722","0.0549","","","0.1337","0.1427","","","","","","1.216","","","","has coordinates,has disorder","229009","2020-10-21","18:00:00",""
"7229801","10.9106","0.0003","15.6456","0.0004","21.7835","0.0006","99.568","0.002","101.358","0.002","103.932","0.002","3448.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy2 N2 O11 -","- C64 H92 Dy2 N2 O11 -","- C128 H184 Dy4 N4 O22 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0641","0.0421","","","0.0982","0.1117","","","","","","1.068","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229802","14.5365","0.0011","15.8905","0.0011","17.8411","0.001","89.709","0.005","66.703","0.006","63.25","0.007","3304.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H56 Cl4 Dy2 N4 O9 -","- C72 H56 Cl4 Dy2 N4 O9 -","- C144 H112 Cl8 Dy4 N8 O18 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0935","0.055","","","0.1231","0.1526","","","","","","1.077","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229803","14.686","0.003","16.758","0.003","10.336","0.002","90","","104.78","0.03","90","","2459.6","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Pr -","- C26 H19 N2 O10 Pr -","- C104 H76 N8 O40 Pr4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0479","0.0416","","","0.1058","0.1107","","","","","","1.065","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229804","14.684","0.003","16.513","0.003","10.239","0.002","90","","104.63","0.03","90","","2402.2","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Gd N2 O10 -","- C26 H19 Gd N2 O10 -","- C104 H76 Gd4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0638","0.0512","","","0.1148","0.1226","","","","","","1.099","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229805","14.726","0.003","16.484","0.003","10.208","0.002","90","","104.47","0.03","90","","2399.3","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Tb -","- C26 H19 N2 O10 Tb -","- C104 H76 N8 O40 Tb4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0573","0.0456","","","0.1081","0.1152","","","","","","1.127","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229806","10.86","0.002","14.23","0.003","20.18","0.004","86.18","0.03","83.88","0.03","78.24","0.03","3032.5","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N2 O31 Sm4 -","- C54 H48 N2 O31 Sm4 -","- C108 H96 N4 O62 Sm8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0631","0.0466","","","0.1051","0.1173","","","","","","1.069","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229807","6.87","0.0014","13.86","0.003","17.71","0.003","88.64","0.03","79.67","0.03","84.36","0.03","1650.9","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C68 H56 N4 O34 Sm4 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.088","0.0804","","","0.1872","0.1901","","","","","","1.302","","","","has coordinates,has disorder","228961","2020-10-21","18:00:00",""
"7229808","14.672","0.003","16.543","0.003","10.243","0.002","90","","104.53","0.03","90","","2406.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Eu N2 O10 -","- C26 H19 Eu N2 O10 -","- C104 H76 Eu4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0463","0.0429","","","0.1046","0.1073","","","","","","1.042","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229809","10.85","0.002","14.04","0.003","19.95","0.004","86.5","0.03","83.4","0.03","78.89","0.03","2960","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Eu4 N2 O31.5 -","- C54 H49 Eu4 N2 O31.5 -","- C108 H98 Eu8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0536","0.0499","","","0.1212","0.1248","","","","","","1.039","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229810","14.708","0.003","16.437","0.003","10.219","0.002","90","","104.47","0.03","90","","2392.1","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Dy N2 O10 -","- C26 H19 Dy N2 O10 -","- C104 H76 Dy4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0569","0.0435","","","0.0954","0.1018","","","","","","1.115","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229811","6.965","0.0014","26.433","0.005","17.879","0.004","90","","97.9","0.03","90","","3260.4","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Tb2 -","- C34 H28 N2 O17 Tb2 -","- C136 H112 N8 O68 Tb8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0434","0.0352","","","0.08","0.0849","","","","","","1.064","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229812","10.84","0.002","14.12","0.003","20.07","0.004","86.59","0.03","83.7","0.03","78.88","0.03","2993.7","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Ho4 N2 O31.5 -","- C54 H49 Ho4 N2 O31.5 -","- C108 H98 Ho8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0439","0.0398","","","0.0994","0.1024","","","","","","1.027","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229813","10.85","0.002","14.18","0.003","20.18","0.004","86.61","0.03","83.77","0.03","78.89","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Gd4 N2 O31.5 -","- C54 H49 Gd4 N2 O31.5 -","- C108 H98 Gd8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0483","0.0424","","","0.1064","0.1112","","","","","","1.055","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229814","6.981","0.0014","26.527","0.005","17.919","0.004","90","","97.89","0.03","90","","3286.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Eu2 N2 O17 -","- C34 H28 Eu2 N2 O17 -","- C136 H112 Eu8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0356","0.0309","","","0.071","0.0737","","","","","","1.09","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229815","6.98","0.0014","13.54","0.003","17.99","0.004","91.02","0.03","98.04","0.03","102.72","0.03","1640.1","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Gd2 N2 O17 -","- C34 H28 Gd2 N2 O17 -","- C68 H56 Gd4 N4 O34 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0581","0.0432","","","0.0961","0.1056","","","","","","1.053","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229816","10.86","0.002","14.21","0.003","20.13","0.004","86.63","0.03","83.76","0.03","78.72","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 N2 O31.5 Tb4 -","- C54 H47 N2 O31.5 Tb4 -","- C108 H94 N4 O63 Tb8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0444","0.0404","","","0.0894","0.0922","","","","","","0.936","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229817","10.83","0.002","14.13","0.003","20.07","0.004","86.1","0.03","83.59","0.03","78.31","0.03","2985.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Dy4 N2 O31 -","- C54 H48 Dy4 N2 O31 -","- C108 H96 Dy8 N4 O62 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0469","0.0424","","","0.1061","0.1092","","","","","","1.008","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229818","7.017","0.0014","26.637","0.005","18.062","0.004","90","","98.27","0.03","90","","3340.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C136 H112 N8 O68 Sm8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0753","0.0679","","","0.1513","0.154","","","","","","1.226","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229819","6.961","0.0014","26.303","0.005","17.797","0.004","90","","97.86","0.03","90","","3227.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Dy2 N2 O17 -","- C34 H28 Dy2 N2 O17 -","- C136 H112 Dy8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0721","0.0544","","","0.1266","0.1425","","","","","","1.06","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229820","11.2207","0.0003","6.68473","0.00016","11.9906","0.0003","90","","98.8862","0.0008","90","","888.59","0.04","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.144","2.19","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229821","7.1114","0.0002","21.6561","0.0009","6.5925","0.0003","90","","92.208","0.005","90","","1014.53","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.747","3","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229822","13.9823","0.0007","6.6512","0.0002","9.5748","0.0003","90","","112.361","0.003","90","","823.49","0.06","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate","Ca-Phthalate","Ca-Phthalate","- C8 H4 Ca O4 -","- C8 H4 Ca O4 -","- C32 H16 Ca4 O16 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.344","4.72","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229823","15.5899","0.0007","21.4477","0.0012","17.1872","0.0008","90","","111.848","0.003","90","","5334.1","0.5","293","","293","2","","","","","","","Mechanochemical synthesis","4","C 1 2/c 1","-C 2yc","15","Ca-Isophthalate","","Ca-Isophthalate","- C8 H4 Ca O7.4 -","- C8 H4 Ca O7.4 -","- C160 H80 Ca20 O148 -","20","2.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.566","1.25","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229827","16.25176","0.00016","16.25176","0.00016","16.6475","0.0003","90","","90","","90","","4396.93","0.1","173","0.1","173","0.1","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C48 H32 N6 O8 S Zn2 -","- C48 H32 N6 O8 S1.002 Zn2 -","- C192 H128 N24 O32 S4.008 Zn8 -","4","0.25","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0998","0.1021","","","","","","1.054","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229828","14.8009","0.0003","24.9586","0.0004","15.8871","0.0003","90","","109.897","0.0019","90","","5518.5","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C225 H197 N27 O51 S4 Zn8 -","4","1","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0391","0.0366","","","0.1023","0.1043","","","","","","1.06","","","","has coordinates","228960","2020-10-21","18:00:00",""
"7229829","13.3978","0.0006","14.469","0.0008","15.9117","0.0005","95.51","0.004","104.353","0.004","116.956","0.005","2584.9","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C116 H78 N12 O22 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","1","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","","1.54184","CuKα","","0.1074","0.0888","","","0.2333","0.2729","","","","","","1.044","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229830","13.5045","0.0003","23.0471","0.0004","15.8666","0.0004","90","","114.098","0.003","90","","4507.9","0.2","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 N4 O12 S3 Zn2 -","- C48 H30 N4 O12 S3 Zn2 -","- C192 H120 N16 O48 S12 Zn8 -","4","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0571","0.0505","","","0.1252","0.1292","","","","","","1.127","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229833","8.0788","0.0004","9.6116","0.0005","15.109","0.0008","96.069","0.005","93.599","0.004","108.477","0.005","1100.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Mn N3 O7 -","- C26 H17 Mn N3 O7 -","- C52 H34 Mn2 N6 O14 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0719","0.046","","","0.0806","0.0907","","","","","","1.022","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229834","20.3749","0.0019","7.5106","0.0006","16.0252","0.0015","90","","124.774","0.014","90","","2014.3","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Mn N5 O8 -","- C20 H17 Mn N5 O8 -","- C80 H68 Mn4 N20 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0463","","","0.082","0.0915","","","","","","1.004","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229835","7.7854","0.0005","13.5993","0.0011","14.8167","0.001","110.658","0.007","98.024","0.006","99.705","0.006","1412.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0669","0.0483","","","0.1155","0.129","","","","","","1.002","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229836","14.2351","0.0004","10.6253","0.0003","15.7359","0.0004","90","","98.541","0.002","90","","2353.69","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N6 O18 Zn3 -","- C52 H40 N6 O18 Zn3 -","- C104 H80 N12 O36 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0421","","","0.0952","0.1074","","","","","","1.021","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229837","14.3761","0.0017","12.3797","0.0014","19.691","0.002","90","","102.829","0.01","90","","3417","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 N5 Ni O10 -","- C38 H31 N5 Ni O10 -","- C152 H124 N20 Ni4 O40 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1676","0.0828","","","0.1942","0.2622","","","","","","1.037","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229838","10.2513","0.0008","14.1783","0.0011","27.31","0.002","88.503","0.006","85.396","0.006","84.24","0.007","3936","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cu3.5 N11 O23 -","- C90 H62 Cu3.5 N11 O23 -","- C180 H124 Cu7 N22 O46 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1584","0.0779","","","0.1065","0.1371","","","","","","1.129","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229839","16.2136","0.0005","9.0346","0.0003","21.3033","0.0006","90","","107.852","0.003","90","","2970.33","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O8 -","- C24 H19 N3 Ni O8 -","- C96 H76 N12 Ni4 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0786","0.0626","","","0.2","0.217","","","","","","1.07","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229840","8.0133","0.0009","37.244","0.004","6.9698","0.0008","90","","92.806","0.002","90","","2077.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22.31 F N3 O7.16 -","- C21 H22.31 F N3 O7.155 -","- C84 H89.24 F4 N12 O28.62 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0545","0.0427","","","0.1072","0.115","","","","","","1.025","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229841","8.1127","0.0008","9.6281","0.0009","27.38","0.003","90","","93.525","0.002","90","","2134.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F N3 O9 -","- C20 H26 F N3 O9 -","- C80 H104 F4 N12 O36 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0613","0.0392","","","0.081","0.0898","","","","","","1.021","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229842","6.7869","0.0004","9.3544","0.0006","15.73","0.0009","93.6351","0.0009","92.6297","0.0009","110.917","0.0009","928.45","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","1","0.5","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0418","0.0359","","","0.0985","0.1034","","","","","","1.04","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229852","8.5564","0.0004","12.4605","0.0005","17.046","0.0007","79.561","0.002","85.274","0.002","71.155","0.002","1690.95","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-aminoheptafluoronaphthalene 18-crown-6 2:1 associate","","- C32 H28 F14 N2 O6 -","- C32 H28 F14 N2 O6 -","- C64 H56 F28 N4 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0592","0.0357","","","0.1128","0.1466","","","","","","1.028","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229853","9.2488","0.0004","9.8098","0.0005","9.8855","0.0005","105.139","0.003","105.804","0.003","114.814","0.002","707.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","pentafluoroaniline 18-crown-6 2:1 associate","","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0805","0.0584","","","0.1752","0.204","","","","","","0.965","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229854","6.1047","0.0007","13.2859","0.0011","7.4684","0.0009","90","","94.767","0.006","90","","603.64","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminotetrafluoropyridine","","- C5 H2 F4 N2 -","- C5 H2 F4 N2 -","- C20 H8 F16 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.052","0.0416","","","0.1498","0.1678","","","","","","0.997","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229855","14.55","0.012","11.592","0.012","34.58","0.03","90","","90.11","0.03","90","","5832","9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate","","- C26 H28 F8 N4 O6 -","- C26 H27.532 F8 N4 O6 -","- C208 H220.256 F64 N32 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.1935","0.151","","","0.4463","0.4817","","","","","","1.903","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229856","18.5893","0.0006","9.6007","0.0003","16.5096","0.0005","90","","116.454","0.001","90","","2637.95","0.14","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5,6-tetrafluoropyridine and 18-crown-6 2:1 associate","","- C22 H28 F8 N4 O6 -","- C22 H28 F8 N4 O6 -","- C88 H112 F32 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0707","0.0546","","","0.1307","0.1435","","","","","","1.054","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229857","8.5736","0.0003","9.9242","0.0004","10.1058","0.0005","117.412","0.002","103.573","0.002","100.167","0.002","700.49","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate","","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0658","0.0517","","","0.1534","0.1738","","","","","","0.928","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229861","11.4313","0.0003","14.6649","0.0003","12.9413","0.0004","90","","102.751","0.003","90","","2115.96","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N4 O8 -","- C18 H19 Cd N4 O8 -","- C72 H76 Cd4 N16 O32 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.063","0.0411","","","0.076","0.0844","","","","","","1.005","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229862","9.24","0.002","9.716","0.003","11.092","0.005","100.29","0.03","90.03","0.02","100.76","0.02","962","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.2304","0.1235","","","0.2738","0.339","","","","","","1.013","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229863","17.9994","0.0003","17.9994","0.0003","28.3709","0.0007","90","","90","","90","","9191.6","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 N5 O7 Zn -","- C23 H23 N5 O7 Zn -","- C368 H368 N80 O112 Zn16 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0331","0.0277","","","0.0608","0.0634","","","","","","1.054","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229864","30.7094","0.0013","7.0123","0.0003","7.4215","0.0004","90","","90","","90","","1598.17","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0636","0.0468","","","0.1106","0.1231","","","","","","1.019","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229865","14.4827","0.0003","10.716","0.0002","18.3369","0.0004","90","","98.401","0.0019","90","","2815.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cd N7 O9 -","- C25 H31 Cd N7 O9 -","- C100 H124 Cd4 N28 O36 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0588","0.0389","","","0.0648","0.0715","","","","","","0.998","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229866","18.3535","0.0007","18.3535","0.0007","28.847","0.0013","90","","90","","90","","9717.1","0.7","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 Cd N5 O7 -","- C23 H23 Cd N5 O7 -","- C368 H368 Cd16 N80 O112 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0405","0.0328","","","0.0799","0.0855","","","","","","1.02","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229867","9.1569","0.0003","9.3193","0.0005","14.7832","0.0007","74.014","0.005","81.153","0.004","79.432","0.004","1185.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0677","0.0466","","","0.061","0.0685","","","","","","0.999","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229868","31.0771","0.0015","7.1271","0.0004","7.6076","0.0004","90","","90","","90","","1685","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0829","0.0478","","","0.064","0.0724","","","","","","0.994","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229869","7.1206","0.0002","30.8546","0.0013","7.4367","0.0002","90","","90.534","0.003","90","","1633.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.064","0.0587","","","0.1584","0.1609","","","","","","1.088","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229870","31.782","0.002","7.0949","0.0005","7.3953","0.0005","90","","90","","90","","1667.57","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O6 S Zn -","- C12 H17 N3 O6 S Zn -","- C48 H68 N12 O24 S4 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0581","0.0454","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229871","7.2332","0.0003","29.3496","0.001","7.6871","0.0003","90","","94.263","0.003","90","","1627.39","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0447","0.0337","","","0.0643","0.0691","","","","","","1.062","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229872","6.0843","0.0004","13.0084","0.0006","23.5288","0.0012","97.915","0.004","95.39","0.005","95.166","0.004","1826.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cd N2 O8 -","- C14 H22 Cd N2 O8 -","- C56 H88 Cd4 N8 O32 -","4","2","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0492","0.0336","","","0.0598","0.0663","","","","","","0.979","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229873","14","0.0012","23.672","0.002","26.421","0.002","90","","92.048","0.002","90","","8750.5","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Cd4 O54.5 -","- C92 H77 Cd4 O54.5 -","- C368 H308 Cd16 O218 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0447","0.0358","","","0.0928","0.0985","","","","","","1.027","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229874","16.495","0.003","10.1203","0.0019","20.613","0.004","90","","95.377","0.004","90","","3425.9","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cd N3 O12.5 -","- C29 H35 Cd N3 O12.5 -","- C116 H140 Cd4 N12 O50 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.1254","0.0777","","","0.2215","0.2788","","","","","","1.041","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229875","31.84","0.01","13.478","0.004","19.854","0.006","90","","91.365","0.006","90","","8518","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd2 N O11 -","- C27 H18 Cd2 N O11 -","- C216 H144 Cd16 N8 O88 -","8","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0733","0.0589","","","0.1526","0.1603","","","","","","1.044","","","","has coordinates","228991","2020-10-21","18:00:00",""
"7229888","9.1829","0.0005","25.6141","0.0016","18.5826","0.0012","90","","99.823","0.002","90","","4306.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-formic acid solvate","","- C112 H88 N8 O12 -","- C112 H88 N8 O12 -","- C224 H176 N16 O24 -","2","0.5","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.2024","0.0884","","","0.2102","0.2595","","","","","","1.024","","","","has coordinates,has disorder","228959","2020-10-21","18:00:00",""
"7229889","10.5529","0.0018","25.439","0.005","8.9279","0.0015","90","","90","","90","","2396.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-propanoic acid solvate","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.0782","0.0429","","","0.0915","0.103","","","","","","1.016","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229890","9.3054","0.0009","28.633","0.003","15.6531","0.0016","90","","103.437","0.003","90","","4056.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","2","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.1595","0.0629","","","0.1346","0.1688","","","","","","1.01","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229901","7.8201","0.0016","8.318","0.0017","11.36","0.002","91.58","0.03","92.89","0.03","116.34","0.03","660.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0493","0.039","","","0.1069","0.1146","","","","","","1.057","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229902","17.887","0.002","7.0953","0.0009","23.419","0.003","90","","90","","90","","2972.2","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O4 -","- C14 H20 N4 O4 -","- C112 H160 N32 O32 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0492","0.0382","","","0.0945","0.1019","","","","","","1.026","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229903","30.274","0.003","6.7982","0.0007","14.2368","0.0014","90","","115.727","0.002","90","","2639.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O4.5 -","- C12 H19 N2 O4.5 -","- C96 H152 N16 O36 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0491","0.0428","","","0.1164","0.1223","","","","","","1.04","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229904","9.8016","0.0014","10.7859","0.0015","11.3248","0.0016","70.022","0.003","78.358","0.003","86.692","0.003","1102","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N6 O7 -","- C22 H24 N6 O7 -","- C44 H48 N12 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0768","0.054","","","0.1374","0.1519","","","","","","1.047","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229905","8.3765","0.001","8.4985","0.001","12.2641","0.0014","79.403","0.002","76.928","0.002","80.829","0.002","829.58","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 O7 -","- C15 H20 N4 O7 -","- C30 H40 N8 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0431","0.0385","","","0.1065","0.1108","","","","","","1.04","","","","has coordinates,has disorder","218546","2020-10-21","18:00:00",""
"7229906","25.812","0.002","10.0083","0.0009","11.1713","0.001","90","","99.7","0.002","90","","2844.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N2 O4.5 -","- C14 H21 N2 O4.5 -","- C112 H168 N16 O36 -","8","2","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.064","0.0518","","","0.129","0.1361","","","","","","1.054","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229907","7.3089","0.0006","7.3878","0.0006","10.8979","0.0009","94.198","0.001","90.084","0.002","98.051","0.001","581.05","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0374","0.0346","","","0.0975","0.1004","","","","","","1.042","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229908","19.046","0.002","7.1278","0.0008","15.6486","0.0018","90","","113.193","0.002","90","","1952.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0705","0.0446","","","0.1035","0.1168","","","","","","1.039","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229909","7.1376","0.0004","9.5383","0.0005","16.6511","0.0009","98.339","0.001","101.009","0.001","108.288","0.001","1030.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 O4 -","- C26 H20 N3 O4 -","- C52 H40 N6 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0501","0.0399","","","0.1025","0.1084","","","","","","1.068","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229910","15.286","0.003","9.921","0.002","19.852","0.004","90","","108.46","0.03","90","","2855.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Co N6 O8 -","- C28 H26 Co N6 O8 -","- C112 H104 Co4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.0822","0.0511","","","0.1051","0.1151","","","","","","1.038","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229911","15.276","0.003","9.993","0.002","19.942","0.004","90","","108.46","0.03","90","","2887.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe N6 O8 -","- C28 H26 Fe N6 O8 -","- C112 H104 Fe4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.1177","0.068","","","0.12","0.1337","","","","","","1.1","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229912","9.765","0.0003","25.1863","0.0009","18.985","0.0007","90","","104.254","0.001","90","","4525.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1383","0.0876","","","0.2192","0.2858","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229913","9.7912","0.0002","25.4967","0.0008","19.1789","0.0005","90","","104.291","0.001","90","","4639.7","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0647","","","0.1651","0.2279","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229914","9.8071","0.0002","25.6011","0.0007","19.2577","0.0005","90","","104.347","0.001","90","","4684.3","0.2","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1653","0.0703","","","0.1864","0.2595","","","","","","1.061","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229915","9.7994","0.0002","25.5488","0.0007","19.2173","0.0005","90","","104.313","0.001","90","","4662","0.2","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1578","0.0683","","","0.1839","0.2543","","","","","","1.066","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229916","9.777","0.0003","25.3964","0.001","19.1058","0.0007","90","","104.272","0.001","90","","4597.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1337","0.0613","","","0.149","0.2041","","","","","","1.051","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229917","9.7754","0.0003","25.3489","0.0008","19.0721","0.0006","90","","104.284","0.001","90","","4579.9","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0898","","","0.2265","0.3061","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229918","9.7836","0.0002","25.4438","0.0008","19.1399","0.0006","90","","104.278","0.001","90","","4617.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1359","0.0639","","","0.1606","0.2171","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229919","9.8177","0.001","25.66","0.003","19.305","0.002","90","","104.384","0.004","90","","4710.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1592","0.0727","","","0.2049","0.2735","","","","","","1.035","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229920","9.7661","0.0003","25.2392","0.0008","19.0103","0.0006","90","","104.274","0.001","90","","4541.2","0.2","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1366","0.0888","","","0.2262","0.2896","","","","","","1.037","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229921","9.7654","0.0004","25.1269","0.0011","18.9626","0.0008","90","","104.199","0.001","90","","4510.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1321","0.0886","","","0.2249","0.2833","","","","","","1.033","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229922","9.7703","0.0003","25.2982","0.0008","19.0409","0.0006","90","","104.279","0.001","90","","4561","0.2","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1425","0.0896","","","0.2229","0.2952","","","","","","1.02","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229927","8.723","0.0015","14.244","0.002","16.507","0.003","90","","100.782","0.003","90","","2014.8","0.6","193","1","193","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br4 Hg2 N4 O -","- C13 H12 Br4 Hg2 N4 O -","- C52 H48 Br16 Hg8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0447","0.0323","","","0.0734","0.0776","","","","","","1.023","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229928","9.4971","0.001","19.796","0.002","9.2661","0.001","90","","96.913","0.01","90","","1729.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Hg I2 N4 O -","- C13 H12 Hg I2 N4 O -","- C52 H48 Hg4 I8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71069","MoKα","","0.0352","0.0254","","","0.0753","0.0779","","","","","","1.055","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229929","10.8009","0.001","15.013","0.0013","11.3474","0.001","90","","108.659","0.002","90","","1743.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br Hg N4 O -","- C18 H13 Br Hg N4 O -","- C72 H52 Br4 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0876","0.0758","","","0.2154","0.2184","","","","","","1.974","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229930","10.7093","0.001","15.1214","0.0014","11.4424","0.0011","90","","110.275","0.001","90","","1738.2","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Hg I N4 O -","- C18 H13 Hg I N4 O -","- C72 H52 Hg4 I4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0491","0.0365","","","0.0749","0.0799","","","","","","1.026","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229931","9.9325","0.0018","10.233","0.002","12.755","0.003","91.65","0.02","110.98","0.02","106.46","0.02","1148.5","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Hg I2 N4 O2 -","- C19 H18 Hg I2 N4 O2 -","- C38 H36 Hg2 I4 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.1182","0.0622","","","0.1458","0.1577","","","","","","0.825","","","","has coordinates,has disorder","228937","2020-10-21","18:00:00",""
"7229939","11.71759","0.00015","11.71759","0.00015","9.48728","0.00013","90","","90","","120","","1128.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 32","P 32","145","11-Azaart","11-azaartemisinin","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C45 H69 N3 O12 -","3","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0579","0.0582","","","","","","1.016","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229940","9.64312","0.00019","9.3622","0.0002","22.8165","0.0004","90","","90.9437","0.0018","90","","2059.61","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Ben","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","2","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0403","0.0348","","","0.0785","0.0818","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229941","9.79451","0.00014","9.30687","0.00013","11.51291","0.00016","90","","92.307","0.0012","90","","1048.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Sal","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C44 H58 N2 O14 -","2","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0674","0.068","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229942","17.9674","0.0007","10.3025","0.0004","9.3723","0.0007","90","","90","","90","","1734.9","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Succ","","","- C34 H52 N2 O12 -","- C34 H52 N2 O12 -","- C68 H104 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0519","0.0455","","","0.1131","0.1171","","","","","","1.001","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229943","10.00907","0.0001","10.09992","0.0001","20.9254","0.0002","90","","90","","90","","2115.37","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Man","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0573","0.0576","","","","","","1","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229944","17.7811","0.0003","10.3174","0.0002","9.49693","0.00015","90","","90","","90","","1742.26","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:L-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C68 H104 N4 O26 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0268","0.0258","","","0.0743","0.0752","","","","","","1.002","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229945","17.5836","0.0007","10.3594","0.0004","9.9524","0.0003","90","","90","","90","","1812.88","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Pim","","","- C37 H58 N2 O12 -","- C37 H58 N2 O12 -","- C74 H116 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0342","0.0312","","","0.0715","0.0729","","","","","","1.027","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229946","10.43733","0.00012","18.04445","0.00019","18.6345","0.0002","90","","90","","90","","3509.54","0.07","99.97","0.1","99.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C136 H208 N8 O52 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0715","0.0725","","","","","","1.001","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229947","15.8663","0.0005","9.3487","0.0003","18.1863","0.0006","90","","116.073","0.001","90","","2423.04","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr Gd N8 O7 -","- C16 H20 Cr Gd N8 O7 -","- C64 H80 Cr4 Gd4 N32 O28 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0232","0.0194","","","0.0484","0.092","","","","","","1.388","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229948","15.8439","0.0018","9.3305","0.0011","18.178","0.002","90","","116.069","0.003","90","","2413.9","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr N8 O7 Tb -","- C16 H20 Cr N8 O7 Tb -","- C64 H80 Cr4 N32 O28 Tb4 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0771","0.0504","","","0.1","0.1496","","","","","","1.301","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229950","5.224","0.003","6.014","0.004","36.61","0.02","87.3","0.014","87.39","0.013","81.545","0.014","1135.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.0939","0.0654","","","0.1331","0.1426","","","","","","1.067","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229951","20.997","0.003","6.1061","0.0009","9.6195","0.0014","90","","95.637","0.005","90","","1227.3","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1118","0.099","","","0.2565","0.2685","","","","","","1.11","","","","has coordinates,has disorder","229073","2020-10-21","18:00:00",""
"7229952","10.2301","0.0019","10.609","0.002","17.283","0.003","75.429","0.015","74.117","0.015","79.223","0.016","1732","0.6","213.5","0.1","213.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","x-ray","1.54184","CuKα","","0.1749","0.0802","","","0.1333","0.1934","","","","","","1.053","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229953","5.1859","0.0007","43.799","0.005","10.7366","0.0015","90","","104.691","0.012","90","","2359","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N6 O4 S -","- C23 H24 N6 O4 S -","- C92 H96 N24 O16 S4 -","4","1","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1654","0.0882","","","0.2056","0.2634","","","","","","1.056","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229954","19.0093","0.0009","19.6552","0.0009","19.068","0.0006","90","","107.888","0.001","90","","6780","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Mn N O7 S4 -","- C29 H39 Mn N O7 S4 -","- C232 H312 Mn8 N8 O56 S32 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1127","0.0634","","","0.1606","0.189","","","","","","1.028","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229955","18.6752","0.001","19.4783","0.001","19.3185","0.0009","90","","108.722","0.002","90","","6655.5","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O6 S4 Zn -","- C26 H32 O6 S4 Zn -","- C208 H256 O48 S32 Zn8 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1191","0.0833","","","0.2075","0.2273","","","","","","1.114","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229956","24.4001","0.0012","45.643","0.003","19.8706","0.001","90","","122.247","0.002","90","","18716.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 Co2 N6 O13 S8 -","- C81 H94 Co2 N6 O13 S8 -","- C648 H752 Co16 N48 O104 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2334","0.1025","","","0.2683","0.2991","","","","","","1.021","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229957","24.5031","0.0008","45.605","0.002","19.9347","0.0009","90","","122.298","0.001","90","","18829.7","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C646 H746 N50 Ni16 O92 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2185","0.1203","","","0.2951","0.3364","","","","","","1.013","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229958","23.1233","0.0011","19.3037","0.001","21.8209","0.0012","90","","106.95","0.002","90","","9317","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H100 Mn2 N8 O11 S8 -","- C90 H100 Mn2 N8 O11 S8 -","- C360 H400 Mn8 N32 O44 S32 -","4","0.5","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.0838","0.0598","","","0.1586","0.1735","","","","","","1.165","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229959","15.6172","0.0011","25.956","0.002","22.5235","0.001","90","","92.578","0.002","90","","9120.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C305 H330 N22 O35 S32 Zn8 -","4","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1505","0.0815","","","0.2212","0.2472","","","","","","1.039","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229960","15.4566","0.0007","10.6707","0.0005","16.0942","0.0007","90","","115.744","0.002","90","","2390.99","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","e{N(CH2CH2)2N}2C60?3I2?CS2?C6H6","","- C72 H19 I4 N4 S2 -","- C72 H19 I4 N4 S2 -","- C144 H38 I8 N8 S4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","0.7749","synchrotron","","0.0502","0.0369","","","0.0869","0.0927","","","","","","1.055","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229961","15.8849","0.0008","18.9471","0.001","19.6812","0.0018","90","","90.063","0.002","90","","5923.5","0.7","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2","","","- C80.5 H34 N4 O12 Rh3 S -","- C80.5 H34 N4 O12 Rh3 S -","- C322 H136 N16 O48 Rh12 S4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","1.54178","CuKα","","0.0799","0.0762","","","0.2016","0.2055","","","","","","1.154","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229962","7.339","0.005","14.815","0.005","11.777","0.005","90","","97.495","0.005","90","","1269.5","1.1","133","2","133","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HL30a","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.144","0.0757","","","0.1826","0.2103","","","","","","0.921","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229963","25.029","0.005","4.211","0.005","28.823","0.005","90","0.005","129.016","0.005","90","0.005","2360","3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HL30i","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0961","0.062","","","0.1646","0.2176","","","","","","1.038","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229964","12.3364","0.0008","13.4022","0.0011","8.6223","0.0005","90","","97.437","0.005","90","","1413.57","0.17","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30i(SCN)]2","","","- C26 H26 Cu2 N6 O6 S2 -","- C26 H26 Cu2 N6 O6 S2 -","- C52 H52 Cu4 N12 O12 S4 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.1126","0.0551","","","0.1208","0.1428","","","","","","0.857","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229965","6.028","0.0004","9.2207","0.0006","11.3737","0.0007","74.653","0.005","75.243","0.005","87.728","0.005","589.26","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30d","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.056","0.0421","","","0.1119","0.1172","","","","","","1.029","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229966","7.3859","0.0005","9.1298","0.0007","10.3252","0.0007","94.11","0.006","96.016","0.006","105.895","0.006","662.26","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30aCl]","","","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0701","0.0609","","","0.1635","0.1742","","","","","","1.069","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229967","7.5941","0.0005","9.0685","0.0006","10.0399","0.0006","90.393","0.005","96.377","0.005","110.15","0.005","644.33","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30iCl]","","","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0606","0.047","","","0.1161","0.1218","","","","","","0.942","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229968","7.6352","0.0005","9.0924","0.0006","9.5031","0.0006","91.652","0.005","98.15","0.005","107.858","0.005","619.77","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30bCl]","","","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0563","0.0454","","","0.1123","0.1175","","","","","","0.962","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229969","10.9871","0.0005","20.1512","0.0012","13.951","0.0006","90","","94.232","0.003","90","","3080.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30cCl]","","","- C14 H17 Cl Cu N2 O4 -","- C14 H17 Cl Cu N2 O4 -","- C112 H136 Cl8 Cu8 N16 O32 -","8","2","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1126","0.0711","","","0.1847","0.2785","","","","","","0.956","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229970","8.7846","0.0004","18.8515","0.0006","9.028","0.0004","90","","99.363","0.003","90","","1475.14","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30bNO3]","","","- C12 H17 Cu N3 O7 -","- C12 H17 Cu N3 O7 -","- C48 H68 Cu4 N12 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0311","0.025","","","0.0639","0.0663","","","","","","1.03","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229971","9.0597","0.0006","14.5372","0.0007","11.8354","0.0008","90","","95.232","0.005","90","","1552.26","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dNO3]","","","- C12 H16 Cu N4 O7 -","- C12 H16 Cu N4 O7 -","- C48 H64 Cu4 N16 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.041","0.0274","","","0.0578","0.0605","","","","","","0.906","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229972","12.9059","0.0007","18.9389","0.0013","7.6909","0.0004","90","","115.017","0.004","90","","1703.48","0.18","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuL30fCl]","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C72 H68 Cl4 Cu4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.026","0.024","","","0.0544","0.0552","","","","","","1.034","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229973","12.76","0.0018","16.897","0.003","13.781","0.002","90","","102.639","0.011","90","","2899.3","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30b]2SO4","","","- C26 H34 Cu2 N4 O10 S -","- C26 H34 Cu2 N4 O10 S -","- C104 H136 Cu8 N16 O40 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0742","0.0468","","","0.103","0.1117","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229974","20.5772","0.0011","19.5249","0.0015","7.1596","0.0004","90","","94.083","0.004","90","","2869.2","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aN3]","","","- C13 H15 Cu N5 O3 -","- C13 H15 Cu N5 O3 -","- C104 H120 Cu8 N40 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0407","0.0271","","","0.0577","0.0609","","","","","","0.937","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229975","10.2653","0.0004","8.8823","0.0004","20.2634","0.0009","90","","97.713","0.003","90","","1830.89","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[CuL30fNO3]","","","- C36 H34 Cu2 N6 O12 -","- C36 H34 Cu2 N6 O12 -","- C72 H68 Cu4 N12 O24 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0487","0.0314","","","0.0687","0.0726","","","","","","0.913","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229976","7.5927","0.0005","23.9283","0.0012","8.5927","0.0005","90","","93.078","0.005","90","","1558.87","0.16","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30aOAc]","","","- C30 H36 Cu2 N4 O10 -","- C30 H36 Cu2 N4 O10 -","- C60 H72 Cu4 N8 O20 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0483","0.0307","","","0.0618","0.0652","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229977","9.8474","0.0005","15.5449","0.0006","10.2348","0.0006","90","","92.59","0.004","90","","1565.11","0.14","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30bSCN]","","","- C14 H17 Cu N3 O3 S -","- C14 H17 Cu N3 O3 S -","- C56 H68 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0746","0.0659","","","0.1957","0.2042","","","","","","1.067","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229978","6.8193","0.0004","11.6812","0.0006","28.7206","0.0016","90","","95.047","0.004","90","","2278.9","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dOAc]","","","- C14 H29 Cu N3 O11 -","- C14 H15 Cu N3 O11 -","- C56 H60 Cu4 N12 O44 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0824","0.0567","","","0.1517","0.1665","","","","","","0.999","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229979","8.866","0.0006","8.8511","0.0006","12.762","0.0008","94.241","0.005","104.942","0.005","108.277","0.005","905.63","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30cOAc]","","","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0397","0.0309","","","0.0867","0.104","","","","","","1.14","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229980","10.3415","0.0007","9.206","0.0004","19.3186","0.0014","90","","98.818","0.005","90","","1817.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30fI]","","","- C36 H34 Cu2 I2 N4 O6 -","- C36 H34 Cu2 I2 N4 O6 -","- C72 H68 Cu4 I4 N8 O12 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1413","0.127","","","0.3393","0.3631","","","","","","1.372","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229981","12.7796","0.0005","13.8977","0.0008","16.9969","0.0006","90","","105.798","0.003","90","","2904.7","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aNO3]","","","- C26 H30 Cu2 N6 O12 -","- C26 H30 Cu2 N6 O12 -","- C104 H120 Cu8 N24 O48 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0335","0.0251","","","0.067","0.0766","","","","","","1.076","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229982","5.9027","0.0005","16.4411","0.0012","15.7542","0.0013","90","","98.344","0.006","90","","1512.7","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30aSCN]","","","- C14 H15 Cu N3 O3 S -","- C14 H15 Cu N3 O3 S -","- C56 H60 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0517","0.0313","","","0.059","0.0632","","","","","","0.894","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229983","7.8179","0.0003","14.6683","0.0006","13.0905","0.0004","90","","92.391","0.003","90","","1499.85","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30aI]","","","- C13 H15 Cu I N2 O3 -","- C13 H15 Cu I N2 O3 -","- C52 H60 Cu4 I4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0273","0.0205","","","0.0458","0.0468","","","","","","0.936","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229984","8.7017","0.0004","18.0339","0.0011","21.7086","0.0012","90","","90","","90","","3406.6","0.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[CuL30iOAc]","","","- C28 H40 Cu2 N4 O14 -","- C28 H40 Cu2 N4 O14 -","- C112 H160 Cu8 N16 O56 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0985","0.0343","","","0.0531","0.0624","","","","","","0.728","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229985","7.3993","0.0004","9.3862","0.0005","10.6959","0.0005","105.369","0.004","99.166","0.004","97.86","0.004","694.52","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30bN3]","","","- C24 H30 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0294","0.0256","","","0.0672","0.0686","","","","","","1.084","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229986","5.5863","0.0005","11.6567","0.0011","13.2094","0.0012","71.808","0.007","79.534","0.007","77.545","0.007","791.86","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30f","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0841","0.0512","","","0.1255","0.1397","","","","","","0.965","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229987","6.7842","0.0006","15.8946","0.0015","15.9754","0.0018","93.458","0.009","96.606","0.008","97.754","0.008","1690.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30c]2SO4","","","- C29 H40 Cu2 N4 O14 S -","- C29 H38 Cu2 N4 O14 S -","- C58 H76 Cu4 N8 O28 S2 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1789","0.1353","","","0.3285","0.3733","","","","","","1.137","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229993","5.7343","0.0006","6.799","0.0007","6.9949","0.0007","90","","104.961","0.001","90","","263.47","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","L-malic acid","","- C4 H6 O5 -","- C4 H6 O5 -","- C8 H12 O10 -","2","1","","Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart","l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity","CrystEngComm","2018","20","10","1383","","10.1039/C7CE02107K","","","0.71073","MoKα","","0.0304","0.0294","","","0.0791","0.0798","","","","","","1.05","","","","has coordinates","228893","2020-10-21","18:00:00",""
"7229994","7.0637","0.0004","15.147","0.0008","15.4381","0.0008","69.624","0.001","81.819","0.001","86.324","0.001","1532.48","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","Theophylline:4chloro3nitrobenzoic acid","","","- C14 H12 Cl N5 O6 -","- C14 H12 Cl N5 O6 -","- C56 H48 Cl4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0384","0.0328","","","0.0866","0.0899","","","","","","1.053","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229995","10.191","0.003","10.459","0.003","12.777","0.003","98.98","0.005","108.898","0.005","108.434","0.005","1170.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:3,4 dichlorobenzoic acid","","","- C21 H16 Cl4 N4 O6 -","- C21 H16 Cl4 N4 O6 -","- C42 H32 Cl8 N8 O12 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0908","0.0442","","","0.1041","0.134","","","","","","1.013","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229996","42.668","0.006","4.9516","0.0008","16.838","0.003","90","","106.575","0.006","90","","3409.6","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Theophylline:acetazolamide","","","- C11 H14 N8 O5 S2 -","- C11 H14 N8 O5 S2 -","- C88 H112 N64 O40 S16 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0659","0.0403","","","0.1107","0.1371","","","","","","1.074","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229997","8.0218","0.0009","14.3076","0.0015","25.258","0.003","90","","90","","90","","2898.9","0.6","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","Theophylline:4hydroxy-benzamide","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C112 H120 N40 O32 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0598","0.0425","","","0.0902","0.0991","","","","","","1.02","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229998","7.203","0.004","14.913","0.009","16.014","0.01","63.098","0.01","86.349","0.012","84.677","0.012","1527","1.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:4-fluoro-3-nitrobenzoic acid","","","- C14 H12 F N5 O6 -","- C14 H12 F N5 O6 -","- C56 H48 F4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.2024","0.1225","","","0.2934","0.3556","","","","","","1.065","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229999","8.0597","0.0007","9.6051","0.0009","14.2402","0.0013","96.817","0.002","99.412","0.002","103.672","0.002","1042.4","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","Theophylline:picolinamide","","","- C20 H22 N10 O5 -","- C20 H22 N10 O5 -","- C40 H44 N20 O10 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0419","0.0359","","","0.0897","0.0943","","","","","","1.038","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7230001","6.9852","0.0002","17.8187","0.0006","8.5879","0.0002","90","","102.313","0.002","90","","1044.32","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 Cu5 I4 N10 -","- C6 H5 Cu5 I4 N10 -","- C12 H10 Cu10 I8 N20 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0395","0.0372","","","0.0961","0.0982","","","","","","1.109","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230002","9.0012","0.0006","14.3269","0.001","12.5315","0.0007","90","","94.3","0.006","90","","1611.5","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Cu6 I4 N20 -","- C12 H16 Cu6 I4 N20 -","- C24 H32 Cu12 I8 N40 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0612","0.0529","","","0.1304","0.1364","","","","","","1.054","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230003","20.9377","0.0011","12.3747","0.0006","40.8557","0.0019","90","","100.209","0.006","90","","10418","0.9","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl2 N18 Ni O18 -","- C42 H54 Cl2 N18 Ni O18 -","- C336 H432 Cl16 N144 Ni8 O144 -","8","2","","Tayade, Sakharam B.; Bhat, Satish S.; Illathvalappil, Rajith; Dhavale, Vishal M.; Kawade, Vitthal A.; Kumbhar, Avinash S.; Kurungot, Sreekumar; Näther, Christian","Water mediated proton conductance in a hydrogen-bonded Ni(ii)-bipyridine-glycoluril chloride self-assembled framework","CrystEngComm","2018","20","8","1094","","10.1039/C7CE01814B","","","0.71073","MoKα","","0.0571","0.0437","","","0.1194","0.1281","","","","","","1.016","","","","has coordinates","228935","2020-10-21","18:00:00",""
"7230030","11.438","0.002","19.463","0.004","13.64","0.003","90","","96.47","0.03","90","","3017.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Eu N11 O15 -","- C24 H18 Eu N11 O15 -","- C96 H72 Eu4 N44 O60 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0358","0.0348","","","0.0956","0.0963","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230031","11.434","0.002","19.348","0.004","13.721","0.003","90","","96.62","0.03","90","","3015.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N11 O15 Tb -","- C24 H16 N11 O15 Tb -","- C96 H64 N44 O60 Tb4 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0437","0.043","","","0.1238","0.1245","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230032","10.569","0.002","12.133","0.002","12.816","0.003","111.04","0.03","91.13","0.03","101.65","0.03","1494.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N11 O15 Y -","- C24 H16 N11 O15 Y -","- C48 H32 N22 O30 Y2 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0511","0.0454","","","0.1193","0.1232","","","","","","1.002","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230033","10.564","0.002","12.125","0.002","12.807","0.003","111.07","0.03","91.16","0.03","101.61","0.03","1491.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er N11 O15 -","- C24 H16 Er N11 O15 -","- C48 H32 Er2 N22 O30 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0334","0.0303","","","0.0728","0.0746","","","","","","1.009","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230034","32.227","0.009","14.685","0.006","14.001","0.006","90","","90","","90","","6626","4","100","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C8 H20 Cl5 In N2 O2 -","- C8 H20 Cl5 In N2 O2 -","- C128 H320 Cl80 In16 N32 O32 -","16","2","","Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard","Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties","CrystEngComm","2018","20","6","703","","10.1039/C7CE01756A","","","0.71073","MoKα","","0.0216","0.0194","","","0.0426","0.043","","","","","","0.985","","","","has coordinates","229006","2020-10-21","18:00:00",""
"7230035","40.012","0.008","16.186","0.003","10.282","0.002","90","","93.64","0.03","90","","6646","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H80 N22 O12 S5 -","- C53 H80 N22 O12 S5 -","- C212 H320 N88 O48 S20 -","4","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0635","0.0486","","","0.117","0.1265","","","","","","1.083","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230036","7.9117","0.0016","9.6617","0.0019","12.132","0.002","90","","94.67","0.03","90","","924.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0539","0.0396","","","0.0995","0.1081","","","","","","1.057","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230037","8.5271","0.0017","11.207","0.002","15.059","0.003","90","","90","","90","","1439.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C44 H72 N16 O8 S4 -","4","1","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0609","0.0429","","","0.0873","0.0958","","","","","","0.963","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230038","12.177","0.002","10.283","0.002","24.918","0.005","90","","90","","90","","3120.1","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.085","0.0732","","","0.1818","0.1908","","","","","","1.052","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230039","15.286","0.003","10.958","0.002","16.735","0.003","90","","91.88","0.03","90","","2801.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C88 H144 N32 O16 S8 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0922","0.0546","","","0.1285","0.1482","","","","","","0.989","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230048","7.4861","0.0003","7.4773","0.0003","27.3003","0.001","90","","95.532","0.004","90","","1521.04","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0482","0.041","","","0.104","0.1111","","","","","","1.052","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230049","21.9366","0.0003","18.2644","0.0003","18.6976","0.0003","90","","103.484","0.0015","90","","7284.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Cu4 N15 O14 -","- C78 H73 Cu4 N15 O14 -","- C312 H292 Cu16 N60 O56 -","4","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.032","0.028","","","0.0739","0.076","","","","","","1.039","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230050","6.8165","0.0003","12.1809","0.0006","13.8681","0.0005","97.444","0.003","98.421","0.003","102.838","0.004","1094.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Cu N3 O5 -","- C23 H27 Cu N3 O5 -","- C46 H54 Cu2 N6 O10 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.076","0.0561","","","0.1331","0.1424","","","","","","1.048","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230051","13.8963","0.0003","13.7996","0.0003","20.7755","0.0005","90","","107.426","0.002","90","","3801.13","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 Co N9 O4 -","- C42 H41 Co N9 O4 -","- C168 H164 Co4 N36 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.0536","0.0383","","","0.0869","0.0953","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230052","13.915","0.0002","13.7467","0.0002","20.8267","0.0004","90","","107.393","0.0019","90","","3801.7","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 N9 Ni O4 -","- C42 H41 N9 Ni O4 -","- C168 H164 N36 Ni4 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0458","0.0377","","","0.0985","0.106","","","","","","1.024","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230053","13.4231","0.0004","30.1689","0.0009","14.2158","0.0004","90","","90","","90","","5756.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H64 Cl Cu2 N7 O13 -","- C64 H64 Cl Cu2 N7 O13 -","- C256 H256 Cl4 Cu8 N28 O52 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.0809","0.0642","","","0.1494","0.1589","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230054","20.7411","0.001","35.8785","0.0014","18.2934","0.0008","90","","109.654","0.005","90","","12820.1","1.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C205 H227 Cl3 N37 Ni10 O51 -","- C205 H227 Cl3 N37 Ni10 O51 -","- C410 H454 Cl6 N74 Ni20 O102 -","2","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.1445","0.0902","","","0.2336","0.268","","","","","","1.016","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230055","14.8923","0.0004","17.0968","0.0007","17.3958","0.0006","87.743","0.003","85.594","0.002","79.606","0.003","4342.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 Cl2 N14 Ni4 O21 -","- C86 H90 Cl2 N14 Ni4 O21 -","- C172 H180 Cl4 N28 Ni8 O42 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0639","0.0529","","","0.1308","0.1419","","","","","","1.053","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230056","15.2703","0.0007","28.8077","0.0012","22.7473","0.0009","90","","107.926","0.005","90","","9520.8","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H108 Cl2 N12 Ni4 O25 -","- C86 H108 Cl2 N12 Ni4 O25 -","- C344 H432 Cl8 N48 Ni16 O100 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0941","0.0754","","","0.219","0.2432","","","","","","1.085","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230057","13.663","0.0008","14.4902","0.0008","15.6628","0.0008","70.842","0.005","67.379","0.005","68.614","0.005","2600.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N7 Ni2 O14 -","- C45 H44 Cl N7 Ni2 O14 -","- C90 H88 Cl2 N14 Ni4 O28 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.1176","0.0677","","","0.156","0.181","","","","","","0.978","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230066","13.463","0.002","13.599","0.002","14.644","0.002","73.288","0.002","68.72","0.002","60.714","0.002","2158.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H38 N4 -","- C112 H76 N8 -","2","1","","Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Tian, Yupeng; Yang, Jiaxiang","Two novel AIEE-active imidazole/ α-cyanostilbene derivatives: photophysical properties, reversible fluorescence switching, and detection of explosives","CrystEngComm","2018","20","9","1237","","10.1039/C7CE01842H","","","0.71073","MoKα","","0.2078","0.1772","","","0.4773","0.5093","","","","","","2.049","","","","has coordinates","229076","2020-10-21","18:00:00",""
"7230067","7.173","0.003","11.186","0.005","5.156","0.002","90","","131.082","0.003","90","","311.8","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Nb O4 Tb -","- Nb O4 Tb -","- Nb4 O16 Tb4 -","4","0.5","","Guo, Jiayi; Ren, Junyu; Cheng, Rui; Dong, Qing; Gao, Cunyuan; Zhang, Xuzhao; Guo, Shiyi","Growth, structural and thermophysical properties of TbNbO4 crystals","CrystEngComm","2018","20","10","1455","","10.1039/C7CE02072D","","","0.71073","MoKα","","0.0249","0.0249","","","0.0644","0.0644","","","","","","1.143","","","","has coordinates","228894","2020-10-21","18:00:00",""
"7230068","15.6204","0.0007","11.7065","0.0005","15.7573","0.0007","90","","97.221","0.002","90","","2858.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S107","","","- C30 H30 Mn N3 O3 S2 -","- C30 H30 Mn N3 O3 S2 -","- C120 H120 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0478","0.0338","","","0.0704","0.075","","","","","","1.061","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230069","11.0249","0.0004","11.9113","0.0005","11.9381","0.0005","114.849","0.001","106.773","0.001","95.718","0.001","1317.3","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","S106","","","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","1","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0373","0.0281","","","0.0629","0.0661","","","","","","1.022","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230070","13.8991","0.0004","11.8029","0.0004","14.2659","0.0005","90","","92.954","0.003","90","","2337.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Mn N3 O3 S2 -","- C22 H26 Mn N3 O3 S2 -","- C88 H104 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0543","0.0423","","","0.0982","0.1043","","","","","","1.024","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230071","9.867","0.0003","12.1265","0.0005","18.8346","0.0007","90","","90","","90","","2253.6","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Mn N5 O3 S -","- C21 H26 Mn N5 O3 S -","- C84 H104 Mn4 N20 O12 S4 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0828","0.0566","","","0.08","0.088","","","","","","0.949","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230072","13.3075","0.0015","10.978","0.0011","18.002","0.002","90","","91.781","0.004","90","","2628.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S120","","","- C31 H24 Mn N3 O3 S2 -","- C31 H24 Mn N3 O3 S2 -","- C124 H96 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0439","0.0383","","","0.1002","0.105","","","","","","1.06","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230073","15.3576","0.001","17.1311","0.0011","12.1008","0.0008","90","","123.884","0.002","90","","2642.9","0.3","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","S110","","","- C22 H30 Cl Mn N2 O10 S -","- C21.5 H30 Cl Mn N2 O10 S -","- C86 H120 Cl4 Mn4 N8 O40 S4 -","4","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0479","0.0427","","","0.1056","0.1075","","","","","","1.116","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230074","12.5031","0.0006","14.6639","0.0007","15.1065","0.0008","90","","90.903","0.004","90","","2769.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Mn N3 O5 S2 -","- C26 H34 Mn N3 O5 S2 -","- C104 H136 Mn4 N12 O20 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.1621","0.0827","","","0.1056","0.1282","","","","","","0.992","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230079","7.0958","0.0005","24.4284","0.0017","9.0306","0.0007","90","","108.453","0.003","90","","1484.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O -","- C19 H14 Cl N O -","- C76 H56 Cl4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.034","0.031","","","0.0839","0.0861","","","","","","1.025","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230080","7.301","0.0003","25.9817","0.001","9.1022","0.0004","90","","111.488","0.002","90","","1606.61","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N O -","- C19 H14 I N O -","- C76 H56 I4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0378","0.0275","","","0.0549","0.0592","","","","","","1.024","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230081","7.1573","0.0004","24.8433","0.0014","9.0381","0.0006","90","","108.491","0.003","90","","1524.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N O -","- C19 H14 Br N O -","- C76 H56 Br4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0371","0.0316","","","0.0825","0.0855","","","","","","1.003","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230082","12.8719","0.0004","14.5519","0.0004","14.2914","0.0004","90","","115.4","0.001","90","","2418.17","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Cl N2 O -","- C32 H23 Cl N2 O -","- C128 H92 Cl4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0474","0.0405","","","0.1052","0.1104","","","","","","1.009","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230083","13.0192","0.0002","14.6232","0.0003","14.2369","0.0002","90","","115.288","0.001","90","","2450.72","0.07","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Br N2 O -","- C32 H23 Br N2 O -","- C128 H92 Br4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0782","0.0449","","","0.0707","0.0796","","","","","","0.948","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230084","17.8528","0.0006","10.1405","0.0004","28.1824","0.001","90","","90","","90","","5102","0.3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H23 I N2 O -","- C32 H23 I N2 O -","- C256 H184 I8 N16 O8 -","8","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0629","0.0698","","","","","","1.01","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230085","18.3054","0.0007","18.3054","0.0007","24.9411","0.0019","90","","90","","120","","7237.8","0.7","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H42 N6 O86 P2 S6 W24 -","- C30 H30 N6 O86 P2 S6 W24 -","- C90 H90 N18 O258 P6 S18 W72 -","3","0.333333","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0325","0.0317","","","0.0718","0.0723","","","","","","1.055","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230086","11.5893","0.0011","14.0435","0.0013","18.6103","0.0014","90","","123.117","0.004","90","","2536.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O46 P S2 W12 -","- C20 H20 N4 O42 P S2 W12 -","- C40 H40 N8 O84 P2 S4 W24 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0657","0.0631","","","0.179","0.1815","","","","","","1.082","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230087","14.9281","0.0017","20.076","0.002","26.708","0.003","90","","120.559","0.005","90","","6892.5","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ag12 N4 O137 P4 S4 W36 -","- C20 H20 Ag12 N4 O137 P4 S4 W36 -","- C40 H40 Ag24 N8 O274 P8 S8 W72 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0966","0.0533","","","0.1297","0.1565","","","","","","1.04","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230088","7.2124","0.0006","10.582","0.0005","17.2167","0.0009","90","","90","","90","","1314.01","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0423","0.0332","","","0.0859","0.0928","","","","","","1.031","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230089","10.9281","0.0002","9.8404","0.0003","11.7942","0.0003","90","","97.535","0.001","90","","1257.36","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","2","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0406","0.0317","","","0.0763","0.0802","","","","","","0.985","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230090","5.443","0.0002","21.1577","0.0006","21.2367","0.0006","90","","90","","90","","2445.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30.63 N6 O8.32 -","- C22 H30 N6 O8.3155 -","- C88 H120 N24 O33.262 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0464","0.037","","","0.0854","0.09","","","","","","1.056","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230098","5.6075","0.0001","13.0331","0.0003","14.8275","0.0003","114.825","0.002","100.483","0.002","91.664","0.002","960.32","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0344","0.029","","","0.0896","0.0917","","","","","","1.084","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230099","14.2644","0.0009","12.9569","0.0008","6.9931","0.0004","90","","100.393","0.006","90","","1271.28","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0712","0.0348","","","0.0615","0.0651","","","","","","0.943","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230100","14.4305","0.0009","13.1657","0.001","7.0872","0.0005","90","","101.958","0.007","90","","1317.26","0.16","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.1045","0.0467","","","0.0774","0.0839","","","","","","1.037","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230101","12.8234","0.0003","8.0674","0.0002","13.4505","0.0003","90","","111.531","0.002","90","","1294.38","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0354","0.0288","","","0.0806","0.0828","","","","","","1.013","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230102","5.652","0.0005","13.1283","0.0018","14.9297","0.001","114.314","0.019","100.619","0.01","91.595","0.009","985.6","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0437","0.0303","","","0.0749","0.0779","","","","","","1.004","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230103","12.7471","0.0005","8.2941","0.0003","13.5772","0.0006","90","","111.406","0.005","90","","1336.44","0.1","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0538","0.0316","","","0.0585","0.0607","","","","","","1.012","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230104","12.2387","0.0007","7.2236","0.0004","8.0822","0.0004","90","","103.325","0.006","90","","695.29","0.07","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-oxindole","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0809","0.0499","","","0.122","0.1518","","","","","","1.062","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230105","12.0455","0.0003","7.0949","0.0002","7.967","0.0002","90","","101.314","0.003","90","","667.64","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxindole","2-indolinone","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0422","0.0353","","","0.0956","0.1024","","","","","","1.053","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230106","14.9614","0.0017","15.2536","0.0016","30.99","0.004","90","","96.288","0.003","90","","7029.8","1.4","100","2","100","2","","","","","","","Vapour diffison of dichloromethane into heaxafluoro-2-propanol solution","4","P 1 21/c 1","-P 2ybc","14","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","1","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1274","0.0796","","","0.1997","0.2275","","","","","","1.08","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230107","14.4613","0.0017","20.326","0.002","23.303","0.003","65.194","0.003","85.341","0.003","73.765","0.003","5964.6","1.2","100","2","100","2","","","","","","","Vapour diffison of 2-methanol into heaxafluoro-2-propanol solution","4","P -1","-P 1","2","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]hemimethanol solvate","","- C49.5 H46 N8 O8.5 -","- C49.5 H46 N8 O8.5 -","- C198 H184 N32 O34 -","4","2","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1112","0.0727","","","0.1813","0.2044","","","","","","1.019","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230108","15.304","0.003","6.2273","0.0012","14.009","0.003","90","","115.285","0.002","90","","1207.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cl2 Cu N4 -","- C6 H6 Au Cl2 Cu N4 -","- C24 H24 Au4 Cl8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0235","0.0181","","","0.0424","0.0449","","","","","","1.059","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230109","15.5179","0.0011","5.9393","0.0004","14.8526","0.001","90","","112.769","0.001","90","","1262.22","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Br2 Cu N4 -","- C6 H6 Au Br2 Cu N4 -","- C24 H24 Au4 Br8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0202","0.0158","","","0.0352","0.0363","","","","","","1.04","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230110","16.567","0.0016","5.5064","0.0005","15.8161","0.0015","90","","108.258","0.001","90","","1370.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cu I2 N4 -","- C6 H6 Au Cu I2 N4 -","- C24 H24 Au4 Cu4 I8 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0223","0.0208","","","0.0519","0.0526","","","","","","1.129","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230114","16.066","0.005","16.264","0.005","25.721","0.008","95.908","0.004","98.689","0.003","94.564","0.004","6577","4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N8 O5 -","- C30 H40 N8 O5 -","- C240 H320 N64 O40 -","8","4","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.1927","0.0879","","","0.1974","0.2278","","","","","","0.968","","","","has coordinates,has disorder","228896","2020-10-21","18:00:00",""
"7230115","17.306","0.002","16.8727","0.0019","23.268","0.003","90","","90","","90","","6794.2","1.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N8 O6 -","- C32 H46 N8 O6 -","- C256 H368 N64 O48 -","8","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1801","0.0868","","","0.1733","0.2169","","","","","","1.015","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230116","16.641","0.003","16.911","0.003","26.532","0.004","90","","92.145","0.005","90","","7461","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O6 -","- C38 H50 N8 O6 -","- C304 H400 N64 O48 -","8","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1789","0.1197","","","0.2323","0.2607","","","","","","1.092","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230117","15.8133","0.0005","15.8133","0.0005","20.5773","0.0008","90","","90","","90","","5145.6","0.3","120","","120","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C208 H240 N64 O32 -","8","0.5","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0376","0.0329","","","0.0788","0.0814","","","","","","1.04","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230118","9.0337","0.0007","14.7317","0.0014","19.8607","0.0015","90","","90","","90","","2643.1","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies – is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0995","0.0723","","","0.1629","0.1782","","","","","","1.036","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7230119","13.3968","0.0008","16.0797","0.0006","16.7219","0.0008","84.489","0.004","67.608","0.005","82.921","0.004","3300.4","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 N9 O4 -","- C33 H39 N9 O4 -","- C132 H156 N36 O16 -","4","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.09","0.0603","","","0.1502","0.1669","","","","","","1.035","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230120","14.71","0.003","14.32","0.003","15.8","0.003","90","","96.47","0.03","90","","3307","1.2","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cr2 Cu N6 O7 -","- C20 H22 Cr2 Cu N6 O7 -","- C80 H88 Cr8 Cu4 N24 O28 -","4","1","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.0548","0.0517","","","0.1457","0.1482","","","","","","1.084","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230121","18.658","0.002","18.658","0.002","8.653","0.0017","90","","90","","90","","3012.3","0.7","100.15","","100.15","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C20 H28 Cr2 Cu N8 O7 -","- C20 H28 Cr2 Cu N8 O7 -","- C80 H112 Cr8 Cu4 N32 O28 -","4","0.5","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.1119","0.095","","","0.2611","0.2747","","","","","","1.051","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230122","29.746","0.006","7.8121","0.0016","19.757","0.004","90","","130.51","0.03","90","","3491","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N13 O12 -","- C8 H9 N13 O12 -","- C64 H72 N104 O96 -","8","1","","Pan, Bochen; Dang, Leping; Wang, Zhanzhong; Jiang, Jun; Wei, Hongyuan","Preparation, crystal structure and solution-mediated phase transformation of a novel solid-state form of CL-20","CrystEngComm","2018","20","11","1553","","10.1039/C7CE02026K","","","0.71073","MoKα","","0.0479","0.0392","","","0.1286","0.135","","","","","","1.029","","","","has coordinates","229147","2020-10-21","18:00:00",""
"7230123","8.8819","0.0005","23.8685","0.0011","13.7122","0.0007","90","","91.846","0.004","90","","2905.4","0.3","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","","0.7107","MoKα","","0.0628","0.0312","","","0.0459","0.0514","","","","","","0.946","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230124","8.5005","0.0002","23.2999","0.0006","13.6047","0.0003","90","","91.102","0.002","90","","2694.06","0.11","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Mn N8 O4 -","- C62 H68 Cl2 Mn N8 O4 -","- C124 H136 Cl4 Mn2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0679","0.0434","","","0.0812","0.0917","","","","","","1.025","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230125","8.7177","0.0002","22.8785","0.0007","13.3318","0.0004","90","","91.452","0.002","90","","2658.15","0.13","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Cu N8 O4 -","- C62 H68 Cl2 Cu N8 O4 -","- C124 H136 Cl4 Cu2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0677","0.0541","","","0.142","0.1517","","","","","","1.036","","","","has coordinates,has disorder","229062","2020-10-21","18:00:00",""
"7230126","8.4606","0.0003","23.1261","0.001","13.5197","0.0006","90","","90.899","0.005","90","","2644.95","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 Ni O4 -","- C62 H68 Cl2 N8 Ni O4 -","- C124 H136 Cl4 N16 Ni2 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0794","0.0465","","","0.0776","0.0879","","","","","","1.014","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230127","8.5717","0.0001","23.4186","0.0003","13.6664","0.0002","90","","91.246","0.001","90","","2742.71","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cd Cl2 N8 O4 -","- C62 H68 Cd Cl2 N8 O4 -","- C124 H136 Cd2 Cl4 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0649","0.0666","","","","","","1.055","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230128","10.0288","0.0003","16.1383","0.0005","16.1962","0.0005","90","","90.845","0.003","90","","2621.03","0.14","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N4 O2 -","- C31 H34 N4 O2 -","- C124 H136 N16 O8 -","4","1","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0583","0.0391","","","0.0792","0.0863","","","","","","1.018","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230129","8.69","0.0002","23.6505","0.0004","13.7975","0.0003","90","","92.038","0.002","90","","2833.91","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.05","0.029","","","0.0481","0.0522","","","","","","1.006","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230137","8.7634","0.0006","19.3464","0.0011","8.8479","0.0007","90","","96.305","0.007","90","","1491","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.095","0.0529","","","0.1132","0.1304","","","","","","1.016","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230138","18.819","0.002","12.3035","0.0008","15.245","0.002","90","","113.799","0.016","90","","3229.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.079","0.0488","","","0.093","0.1034","","","","","","1.024","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230139","20.911","0.002","5.3366","0.0005","10.8719","0.0009","90","","90","","90","","1213.23","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0766","0.047","","","0.0698","0.0802","","","","","","0.992","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230140","9.8994","0.0007","6.8199","0.0003","20.3396","0.0015","90","","90","","90","","1373.19","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0926","0.0535","","","0.0925","0.1075","","","","","","1.056","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230141","19.2494","0.001","12.8121","0.0006","15.0103","0.0007","90","","112.476","0.006","90","","3420.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1202","0.0594","","","0.1142","0.1373","","","","","","0.984","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230142","24.185","0.003","12.6631","0.0018","4.7046","0.0008","90","","90","","90","","1440.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.2087","0.0769","","","0.078","0.1091","","","","","","0.929","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230143","15.6285","0.0005","12.4516","0.0004","7.3947","0.0003","90","","93.187","0.003","90","","1436.78","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0651","0.0449","","","0.1046","0.1148","","","","","","1.032","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230144","11.9715","0.0005","12.5059","0.0006","9.371","0.0004","90","","97.453","0.004","90","","1391.12","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1242","0.0552","","","0.0779","0.0969","","","","","","0.971","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230145","4.9401","0.0005","27.416","0.003","15.4519","0.0014","90","","95.408","0.002","90","","2083.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F2 N2 S2 -","- C24 H22 F2 N2 S2 -","- C96 H88 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.71073","MoKα","","0.0715","0.0532","","","0.1152","0.1251","","","","","","1.09","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230146","4.9884","0.0002","20.5374","0.001","23.8286","0.0011","109.016","0.001","90.388","0.001","91.87","0.001","2306.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","","","","0.0673","0.0594","","","0.1673","0.1769","","","","","","1.031","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230147","18.3461","0.0006","5.0761","0.0001","25.1208","0.0008","90","","99.433","0.001","90","","2307.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0757","0.0734","","","0.1938","0.1991","","","","","","1.067","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230148","4.8908","0.0001","37.3867","0.0009","15.8515","0.0004","90","","95.896","0.001","90","","2883.13","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 F2 N2 S2 -","- C32 H38 F2 N2 S2 -","- C128 H152 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0512","0.0498","","","0.1352","0.1363","","","","","","1.05","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230151","7.488","0.005","15.981","0.005","12.179","0.005","90","0.005","105.711","0.005","90","0.005","1403","1.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","0.5","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.189","0.17","","","","0.4811","","","","","","1.89","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230152","11.7214","0.0008","6.9671","0.0004","20.641","0.0013","90","","103.414","0.006","90","","1639.64","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C64 H40 Cl8 N12 O16 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0989","0.0963","","","","0.2569","","","","","","1.115","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230153","16.311","0.0003","13.4662","0.0002","14.4537","0.0002","90","","90","","90","","3174.71","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl2 N3 O2 -","- C16 H12 Cl2 N3 O2 -","- C128 H96 Cl16 N24 O16 -","8","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0474","0.0437","","","","0.1256","","","","","","1.049","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230154","7.1343","0.0007","15.894","0.0014","11.519","0.0011","90","","98.678","0.008","90","","1291.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl2 N3 O2 -","- C13 H6 Cl2 N3 O2 -","- C52 H24 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","x-ray","1.54184","CuKα","","","0.0527","","","","0.1669","","","","","","1.04","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230155","6.8512","0.0001","11.0917","0.0001","19.146","0.0002","90","","94.392","0.001","90","","1450.66","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0464","0.0456","","","","0.118","","","","","","1.023","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230156","6.8797","0.0004","10.4684","0.0006","11.0184","0.0004","87.618","0.004","79.679","0.004","75.627","0.005","756.26","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C30 H18 Cl4 N8 O6 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.048","0.0456","","","","0.137","","","","","","1.095","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230157","6.5095","0.0004","10.0244","0.0006","12.1968","0.0009","96.753","0.005","98.883","0.006","104.199","0.005","752.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl2 N4 O2 -","- C17 H9 Cl2 N4 O2 -","- C34 H18 Cl4 N8 O4 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.1559","0.1478","","","","0.3196","","","","","","1.172","","","","has coordinates,has disorder","229055","2020-10-21","18:00:00",""
"7230158","6.87171","0.00007","10.10504","0.00009","20.5512","0.0002","90","","94.6882","0.0009","90","","1422.28","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0302","0.0292","","","","0.0815","","","","","","1.069","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230159","19.9026","0.0002","6.7671","0.0001","23.9113","0.0002","90","","104.552","0.001","90","","3117.13","0.06","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C128 H80 Cl16 N24 O32 -","8","2","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0335","0.0332","","","","0.087","","","","","","0.898","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230160","6.4226","0.0003","11.3416","0.0004","20.4418","0.0008","90","","91.438","0.004","90","","1488.56","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C60 H36 Cl8 N16 O12 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0629","0.0567","","","","0.1636","","","","","","1.068","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230174","12.4225","0.0007","13.0816","0.0009","15.8045","0.0009","66.69","0.006","72.34","0.005","84.193","0.005","2247","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cu3 N6 O9 S2 -","- C44 H49.9998 Cu3 N6 O9 S2 -","- C88 H99.9996 Cu6 N12 O18 S4 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C‒H⋯π(bimetallo ring) interactions","CrystEngComm","2018","20","12","1679","","10.1039/C7CE01473B","","","0.71073","MoKα","","0.0803","0.0551","","","0.0921","0.0998","","","","","","1.058","","","","has coordinates","229157","2020-10-21","18:00:00",""
"7230178","11.1999","0.0018","17.297","0.003","14.0431","0.0019","90","","124.762","0.009","90","","2235","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu4 N10 O19 -","- C26 H26 Cu4 N10 O19 -","- C52 H52 Cu8 N20 O38 -","2","0.5","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0747","0.0482","","","0.111","0.1217","","","","","","1.092","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230179","12.3214","0.0008","14.7121","0.001","6.7818","0.0005","90","","98.908","0.002","90","","1214.53","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co2 N4 O7 -","- C9 H8 Co2 N4 O7 -","- C36 H32 Co8 N16 O28 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0307","","","0.0791","0.0839","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230180","7.6026","0.0003","10.2758","0.0004","15.0264","0.0006","93.07","0.001","92.068","0.001","108.426","0.001","1110.38","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O7 Zn2 -","- C21 H14 N6 O7 Zn2 -","- C42 H28 N12 O14 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.028","0.0241","","","0.0618","0.0642","","","","","","1.08","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230181","13.427","0.0014","17.2924","0.0019","9.1168","0.0011","90","","107.616","0.004","90","","2017.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N6 O6 Zn2 -","- C19 H13 N6 O6 Zn2 -","- C76 H52 N24 O24 Zn8 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0536","0.0349","","","0.0798","0.0877","","","","","","1.039","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230182","7.9093","0.0014","8.4758","0.0014","11.879","0.002","105.314","0.005","105.849","0.006","94.385","0.006","729.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N5 O5 Zn2 -","- C14 H8 N5 O5 Zn2 -","- C28 H16 N10 O10 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0329","0.0267","","","0.0634","0.0662","","","","","","1.056","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230183","6.9787","0.0008","19.687","0.002","11.6833","0.0011","90","","92.269","0.004","90","","1603.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Mn2 N5 O6 -","- C13 H12 Mn2 N5 O6 -","- C52 H48 Mn8 N20 O24 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0327","","","0.0813","0.0844","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230185","7.5803","0.0007","10.411","0.001","19.476","0.002","90","","97.922","0.003","90","","1522.3","0.3","222","2","222.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C52 H72 N16 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0521","0.0388","","","0.0961","0.103","","","","","","1.034","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230186","15.0591","0.0011","6.7221","0.0005","16.0418","0.0012","90","","90","","90","","1623.9","0.2","172","2","172.53","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 N4 O7 S -","- C13 H20 N4 O7 S -","- C52 H80 N16 O28 S4 -","4","0.5","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0367","0.034","","","0.0845","0.0867","","","","","","1.097","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230187","10.8939","0.0007","12.2771","0.0009","16.6849","0.0013","90","","90","","90","","2231.5","0.3","222","2","222.14","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N8 O6 S -","- C19 H30 N8 O6 S -","- C76 H120 N32 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0842","0.0627","","","0.1202","0.1295","","","","","","1.123","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230188","6.2433","0.0014","35.039","0.009","10.477","0.003","90","","94.424","0.009","90","","2285.1","1","172","2","172.13","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N8 O7 S -","- C19 H32 N8 O7 S -","- C76 H128 N32 O28 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0431","0.039","","","0.0983","0.1004","","","","","","1.159","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230199","10.687","0.0006","11.1135","0.0007","14.7255","0.0009","83.684","0.001","77.214","0.001","63.156","0.001","1521.68","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","Di-m-phenylthio-bis(cyclopentadienyl carbonyl iron)","","- C15 H10 F2 Fe I O S -","- C15 H10 F2 Fe I O S -","- C60 H40 F8 Fe4 I4 O4 S4 -","4","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0619","0.037","","","0.0651","0.0731","","","","","","0.996","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230200","8.0151","0.0004","8.2003","0.0005","10.3911","0.0006","105.477","0.001","93.469","0.001","95.421","0.001","652.64","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl-(h5-cyclopentadienyl)-iodoiron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C10 H5 F2 Fe I2 O2 -","- C10 H5 F2 Fe I2 O2 -","- C20 H10 F4 Fe2 I4 O4 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0654","0.0665","","","","","","1.059","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230201","19.16","0.03","7.157","0.011","24.99","0.04","90","","90","","90","","3427","9","423","2","423.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-chloro-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Cl F4 Fe I2 O2 -","- C13 H5 Cl F4 Fe I2 O2 -","- C104 H40 Cl8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0491","0.029","","","0.0561","0.0631","","","","","","1.01","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230202","14.137","0.005","10.691","0.003","13.803","0.004","90","","95.373","0.005","90","","2077","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H12 Co F4 I3 O2 -","- C16 H12 Co F4 I3 O2 -","- C64 H48 Co4 F16 I12 O8 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.043","0.0383","","","0.0953","0.1021","","","","","","1.086","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230203","14.066","0.004","13.931","0.004","14.062","0.004","90","","117.28","0.005","90","","2449","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt","","- C10 H12 Co I O2 -","- C10 H12 Co I O2 -","- C80 H96 Co8 I8 O16 -","8","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0796","0.0489","","","0.0901","0.1028","","","","","","1.014","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230204","19.1299","0.0009","7.1259","0.0003","25.1867","0.0012","90","","90","","90","","3433.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-bromo-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Br F4 Fe I2 O2 -","- C13 H5 Br F4 Fe I2 O2 -","- C104 H40 Br8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0316","0.0227","","","0.0468","0.0499","","","","","","1.049","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230205","13.528","0.0004","11.6432","0.0004","11.7133","0.0004","90","","114.974","","90","","1672.45","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h5-cyclopentadienyl)-telleurophenyl-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H10 F2 Fe I O2 Te -","- C16 H10 F2 Fe I O2 Te -","- C64 H40 F8 Fe4 I4 O8 Te4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0212","0.0183","","","0.0419","0.0431","","","","","","1.0103","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230206","7.527","0.0004","14.1483","0.0009","34.3682","0.0019","90","","90","","90","","3660","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide hydrochloride oxalic acid","4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride oxalic acid","","- C15 H24 Cl2 N3 O4 -","- C15 H24 Cl2 N3 O4 -","- C120 H192 Cl16 N24 O32 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0488","0.0384","","","0.0875","0.0928","","","","","","1.123","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230207","12.1124","0.0017","8.5524","0.0012","16.849","0.003","90","","98.605","0.007","90","","1725.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Metoclopramide HCl Monohydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H25 Cl2 N3 O3 -","- C14 H25 Cl2 N3 O3 -","- C56 H100 Cl8 N12 O12 -","4","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0394","0.0318","","","0.0737","0.0772","","","","","","1.045","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230208","14.6866","0.0004","7.0245","0.0002","33.0316","0.0009","90","","90","","90","","3407.74","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide HCl anhydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H23 Cl2 N3 O2 -","- C14 H23 Cl2 N3 O2 -","- C112 H184 Cl16 N24 O16 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","1.54186","CuKα","","0.1485","0.0819","","","0.1996","0.2502","","","","","","0.98","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230211","7.431","0.0015","8.7786","0.0018","10.589","0.002","87.15","0.03","82.23","0.03","82.29","0.03","677.9","0.2","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0559","0.0406","","","0.0825","0.0887","","","","","","1.063","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230212","14.396","0.003","14.183","0.003","15.458","0.003","90","","114.23","0.03","90","","2878.1","1.2","170","0.1","170","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl12 Cu2 N4 -","- C20 H12 Cl12 Cu2 N4 -","- C80 H48 Cl48 Cu8 N16 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0237","0.0202","","","0.0503","0.052","","","","","","1.037","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230213","8.2021","0.0004","12.8425","0.0007","14.6338","0.0006","90","","91.109","0.005","90","","1541.17","0.13","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","1.54184","CuKα","","0.0446","0.0419","","","0.1009","0.1032","","","","","","1.077","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230214","3.7208","0.0001","15.9058","0.0005","11.7364","0.0005","90","","94.532","0.003","90","","692.42","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Cu F2 N2 -","- C10 H8 Cl2 Cu F2 N2 -","- C20 H16 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.1281","0.1171","","","0.2838","0.3002","","","","","","1.323","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230215","8.1656","0.0016","12.708","0.003","14.591","0.003","90","","91.79","0.03","90","","1513.3","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0277","0.0237","","","0.0526","0.0543","","","","","","1.06","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230216","8.4827","0.0017","13.075","0.003","14.721","0.003","90","","90.35","0.03","90","","1632.7","0.6","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0316","0.0243","","","0.0495","0.0514","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230217","7.8894","0.0016","14.316","0.003","13.494","0.003","90","","92.06","0.03","90","","1523.1","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Br4 Cl8 Cu2 N4 -","- C20 H12 Br4 Cl8 Cu2 N4 -","- C40 H24 Br8 Cl16 Cu4 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0259","0.0212","","","0.045","0.0466","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230218","4.0102","0.0007","8.4892","0.0013","10.1403","0.0013","90.863","0.012","92.738","0.013","97.811","0.014","341.54","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.0307","0.0263","","","0.0582","0.0608","","","","","","1.092","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230219","5.7104","0.0011","11.981","0.002","10.478","0.002","90","","103.66","0.03","90","","696.6","0.2","170","0.1","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0261","0.0206","","","0.0471","0.0488","","","","","","1.042","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230220","14.946","0.003","15.233","0.003","6.7384","0.0013","90","","91.82","0.03","90","","1533.4","0.5","170","0.1","170","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C40 H24 Br8 Cl8 Cu4 F8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0226","0.0197","","","0.0473","0.0483","","","","","","1.079","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230221","8.3678","0.0017","13.106","0.003","14.7","0.003","90","","90.12","0.03","90","","1612.1","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C40 H24 Cl16 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0434","0.0291","","","0.0503","0.0537","","","","","","1.02","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230222","8.0829","0.0016","14.605","0.003","13.664","0.003","90","","91.89","0.03","90","","1612.2","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Cl8 Cu2 I4 N4 -","- C20 H12 Cl8 Cu2 I4 N4 -","- C40 H24 Cl16 Cu4 I8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0215","0.0192","","","0.043","0.044","","","","","","1.067","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230223","7.31","0.003","11.315","0.004","13.857","0.005","71.67","0.03","89.38","0.03","77.11","0.03","1058.4","0.7","240.01","0.1","240.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C12 H28 Bi4 Cl16 N8 O4 -","2","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","","0.71073","MoKα","","0.038","0.0268","","","0.0502","0.0541","","","","","","1.052","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230224","7.449","0.003","13.654","0.004","20.679","0.006","90","","90","","90","","2103.2","1.2","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl8 N4 O2 Sb2 -","- C6 H14 Cl8 N4 O2 Sb2 -","- C24 H56 Cl32 N16 O8 Sb8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0254","0.0226","","","0.048","0.0493","","","","","","1.097","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230225","13.773","0.004","7.213","0.003","21.91","0.006","90","","107.53","0.03","90","","2075.6","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C24 H56 Bi8 Cl32 N16 O8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0437","0.0307","","","0.0603","0.0646","","","","","","1.044","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230226","28.529","0.003","14.5251","0.0015","13.6581","0.0014","90","","100.636","0.003","90","","5562.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.3 H45.4 La2 N2 O24 -","- C39.3 H33.3 La2 N2 O24 -","- C157.2 H133.2 La8 N8 O96 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0611","0.0454","","","0.1326","0.1422","","","","","","1.11","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230227","28.4907","0.0017","14.4061","0.0009","13.6706","0.0008","90","","99.059","0.002","90","","5541","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Eu2 N2 O22 -","- C39 H33 Eu2 N2 O22 -","- C156 H132 Eu8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0448","0.0345","","","0.0941","0.1014","","","","","","1.084","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230228","28.754","0.004","14.412","0.002","13.787","0.002","90","","97.044","0.004","90","","5670.2","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H20.5 N O10.75 Sm -","- C19.5 H16.5 N O10.75 Sm -","- C156 H132 N8 O86 Sm8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0785","0.0539","","","0.1316","0.1425","","","","","","1.114","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230229","28.477","0.004","14.5281","0.0018","13.6564","0.0017","90","","100.456","0.003","90","","5556.1","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.65 H22.7 Ce N O12 -","- C19.65 H16.65 Ce N O12 -","- C157.2 H133.2 Ce8 N8 O96 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0628","0.0469","","","0.1344","0.1437","","","","","","1.077","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230230","28.214","0.006","14.429","0.003","13.411","0.003","90","","100.77","0.03","90","","5363","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N O11 Tb -","- C20 H17 N O11 Tb -","- C160 H136 N8 O88 Tb8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0724","0.0718","","","0.2235","0.2259","","","","","","1.058","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230231","28.445","0.006","14.543","0.003","13.394","0.003","90","","101.85","0.03","90","","5423","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C39 H33 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C156 H132 Eu0.8 La3.52 N8 O104 Tb3.68 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0632","0.0579","","","0.1735","0.1782","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230232","28.56","0.002","14.3583","0.0011","13.7162","0.0011","90","","97.985","0.002","90","","5570.1","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39.2 N1.2 Nd2 O23 -","- C37 H27.8 N1.2 Nd2 O23 -","- C148 H111.2 N4.8 Nd8 O92 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0622","0.0414","","","0.1057","0.1138","","","","","","1.068","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230233","28.4551","0.0016","14.2978","0.0008","13.6672","0.0008","90","","98.243","0.001","90","","5503","0.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Dy2 N2 O22 -","- C39 H33 Dy2 N2 O22 -","- C156 H132 Dy8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0419","0.0356","","","0.0911","0.0963","","","","","","1.126","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230234","28.533","0.006","14.512","0.003","13.441","0.003","90","","101.87","0.03","90","","5447","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C39 H33 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C156 H132 Eu0.88 La5.28 N8 O104 Tb1.84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0797","0.0745","","","0.215","0.2208","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230235","28.4713","0.0018","14.2708","0.0009","13.643","0.0009","90","","97.961","0.002","90","","5489.8","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Er2 N3 O22 -","- C42 H40 Er2 N3 O22 -","- C168 H160 Er8 N12 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0365","0.0304","","","0.077","0.0814","","","","","","1.122","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230236","28.48","0.004","14.496","0.0015","13.6564","0.0014","90","","100.308","0.005","90","","5547","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N2 O24 Pr2 -","- C39 H33 N2 O24 Pr2 -","- C156 H132 N8 O96 Pr8 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0573","0.0413","","","0.1212","0.1294","","","","","","1.078","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230237","28.7055","0.0013","14.4824","0.0007","13.5829","0.0006","90","","97.525","0.001","90","","5598.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Gd2 N2 O22 -","- C39 H32 Gd2 N2 O22 -","- C156 H128 Gd8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0529","0.0445","","","0.1214","0.1283","","","","","","1.066","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230238","28.5245","0.0017","14.3258","0.0009","13.6361","0.0008","90","","97.979","0.002","90","","5518.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.2 H44 Ho2 N2.4 O21 -","- C39.2 H34.8 Ho2 N2.4 O21 -","- C156.8 H139.2 Ho8 N9.6 O84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0413","0.0347","","","0.0898","0.0951","","","","","","1.094","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230245","16.5711","0.0007","14.2773","0.0005","18.0085","0.0007","90","","90","","90","","4260.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl4 Hg2 N8 O4 -","- C40 H36 Cl4 Hg2 N8 O4 -","- C160 H144 Cl16 Hg8 N32 O16 -","4","0.5","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0429","0.031","","","0.0704","0.075","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230246","14.925","0.0005","17.9225","0.0006","9.7074","0.0003","90","","99.086","0.002","90","","2564.08","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Hg I2 N5 O2 -","- C22 H21 Hg I2 N5 O2 -","- C88 H84 Hg4 I8 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0825","0.0448","","","0.1121","0.1254","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230247","16.5731","0.0007","14.3971","0.0005","18.3341","0.0007","90","","90","","90","","4374.6","0.3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Br2 Hg N4 O2 -","- C20 H18 Br2 Hg N4 O2 -","- C160 H144 Br16 Hg8 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0789","0.0403","","","0.0746","0.0852","","","","","","0.966","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230248","16.9633","0.0005","9.3636","0.0002","29.0993","0.0007","90","","90","","90","","4622.1","0.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Hg I2 N4 O2 -","- C20 H18 Hg I2 N4 O2 -","- C160 H144 Hg8 I16 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0771","0.0334","","","0.0487","0.0577","","","","","","0.975","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230249","14.4848","0.0006","18.1541","0.0007","9.5331","0.0003","90","","98.561","0.003","90","","2478.88","0.16","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br2 Hg N5 O2 -","- C22 H21 Br2 Hg N5 O2 -","- C88 H84 Br8 Hg4 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.1003","0.0471","","","0.0899","0.1071","","","","","","1.002","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230250","6.711","0.002","14.834","0.005","12.391","0.004","90","","104.88","0.03","90","","1192.2","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl2 N2 O4 -","- C11 H8 Cl2 N2 O4 -","- C44 H32 Cl8 N8 O16 -","4","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0386","0.033","","","0.0787","0.0808","","","","","","1.133","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230251","8.463","0.003","8.976","0.003","10.962","0.004","95.57","0.02","111.82","0.03","109.33","0.02","706.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C26 H24 Cl4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0529","0.0464","","","0.1261","0.1326","","","","","","1.071","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230252","8.45","0.004","9.153","0.002","10.952","0.004","67.5","0.03","67.45","0.02","72.56","0.03","711","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O4 -","- C13 H12 Br2 N2 O4 -","- C26 H24 Br4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0305","0.0267","","","0.0744","0.077","","","","","","1.069","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230253","20.001","0.002","4.845","0.004","16.024","0.004","90","","125.35","0.03","90","","1266.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Br2 N2 O4 -","- C11 H8 Br2 N2 O4 -","- C44 H32 Br8 N8 O16 -","4","0.5","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0413","0.0376","","","0.0903","0.092","","","","","","1.228","","","","has coordinates,has disorder","229063","2020-10-21","18:00:00",""
"7230254","13.379","0.007","14.992","0.003","16.043","0.004","113.9","0.04","103.69","0.03","98.24","0.02","2753","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C104 H96 Cl16 N16 O32 -","8","4","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0897","0.0564","","","0.1414","0.1562","","","","","","1.041","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230255","21.288","0.0012","15.5482","0.0009","22.5226","0.0013","90","","90.53","0.001","90","","7454.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Ag10 F18 O7 -","- C58 H66 Ag10 F18 O7 -","- C232 H264 Ag40 F72 O28 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0413","0.0353","","","0.0739","0.0781","","","","","","1.188","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230256","15.9191","0.0012","18.5105","0.0014","16.4798","0.0013","90","","106.631","0.002","90","","4653","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H84 Ag12 F24 O10 -","- C70 H76 Ag12 F24 O10 -","- C140 H152 Ag24 F48 O20 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0634","0.0588","","","0.1559","0.1584","","","","","","1.156","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230257","15.8413","0.0016","17.2728","0.0017","20.951","0.002","97.908","0.002","91.893","0.002","110.129","0.002","5311.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H102 Ag16 Cl F21 O8 -","- C83 H102 Ag16 Cl F21 O8 -","- C166 H204 Ag32 Cl2 F42 O16 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0788","0.0573","","","0.1135","0.1302","","","","","","1.167","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230258","14.4518","0.0011","18.034","0.0014","24.852","0.0019","69.198","0.002","73.412","0.002","68.675","0.002","5548.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H110 Ag17 F21 O10 -","- C88 H110 Ag16.994 F21 O10 -","- C176 H220 Ag33.988 F42 O20 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0575","0.0463","","","0.1054","0.1137","","","","","","1.138","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230259","14.1186","0.001","18.0195","0.0012","26.5054","0.0019","90.783","0.002","92.624","0.002","100.746","0.002","6616.3","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H149 Ag22 F9 N2 O14 P2 -","- C101 H145 Ag22 F9 N2 O14 P2 -","- C202 H290 Ag44 F18 N4 O28 P4 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0735","0.0663","","","0.1546","0.16","","","","","","1.174","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230260","22.419","0.004","19.817","0.003","27.289","0.004","90","","106.543","0.004","90","","11622","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C172 H242 Ag40 F30 O33 P4 V2 -","- C172 H238 Ag40 F30 O33 P4 V2 -","- C344 H476 Ag80 F60 O66 P8 V4 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.1321","0.1009","","","0.2223","0.244","","","","","","1.09","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230261","19.6076","0.0011","27.3026","0.0017","28.806","0.0016","88.022","0.002","85.904","0.001","88.203","0.002","15365.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C228 H264 Ag48 F72 O38 V4 -","- C228 H258 Ag48 F72 O38 V4 -","- C456 H516 Ag96 F144 O76 V8 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0557","0.0389","","","0.0807","0.0909","","","","","","1.058","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230262","14.7978","0.0017","25.14","0.003","32.296","0.004","90","","90","","90","","12015","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H110 Ag19 F21 Mo O14 -","- C88 H110 Ag19 F21 Mo O14 -","- C352 H440 Ag76 F84 Mo4 O56 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0964","0.0927","","","0.2172","0.2198","","","","","","1.114","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230267","13.022","0.002","22.619","0.004","12.962","0.002","90","","104.648","0.003","90","","3693.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CLD","","","- C15 H20 N28 O28 -","- C15 H20 N28 O28 -","- C60 H80 N112 O112 -","4","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Mo, Hongchang; Xu, Minghui; Zhang, Qian; Wang, Bozhou","Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation","CrystEngComm","2018","20","14","2060","","10.1039/C8CE00006A","","","0.71073","MoKα","","0.0539","0.0382","","","0.0922","0.1024","","","","","","1.013","","","","has coordinates","229067","2020-10-21","18:00:00",""
"7230268","7.0769","0.0008","12.5517","0.0014","17.9244","0.0018","82.908","0.005","87.892","0.005","84.717","0.005","1572.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Fe2 N24 O8 -","- C54 H71.2 Fe2 N24 O8.2 -","- C54 H71.2 Fe2 N24 O8.2 -","1","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.1227","0.0864","","","0.2133","0.2351","","","","","","1.005","","","","has coordinates","229059","2020-10-21","18:00:00",""
"7230269","7.1019","0.0003","22.0731","0.001","20.6168","0.001","90","","92.075","0.001","90","","3229.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Fe2 N24 O13 -","- C54 H65 Fe2 N24 O13 -","- C108 H130 Fe4 N48 O26 -","2","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0599","0.0546","","","0.1362","0.1404","","","","","","1.038","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230270","7.0696","0.0001","35.4378","0.0007","12.7602","0.0003","90","","94.789","0.001","90","","3185.67","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.4 -","- C27 H34 Fe N12 O5.4 -","- C108 H136 Fe4 N48 O21.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0625","0.053","","","0.1381","0.1443","","","","","","1.022","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230271","7.0846","0.0005","35.531","0.002","12.6872","0.0008","90","","94.818","0.002","90","","3182.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5 -","- C27 H34 Fe N12 O5 -","- C108 H136 Fe4 N48 O20 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0554","0.0469","","","0.1135","0.1191","","","","","","1.045","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230272","7.0887","0.0001","35.4699","0.0007","12.8214","0.0002","90","","94.72","0.001","90","","3212.82","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.9 -","- C27 H33.588 Fe N12 O5.9 -","- C108 H134.352 Fe4 N48 O23.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0595","0.0485","","","0.1179","0.1237","","","","","","1.078","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230273","31.5773","0.0005","36.4648","0.0005","38.7297","0.0009","90","","107.41","0.002","90","","42552.7","1.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Gd45 O388 -","- C81 H168 Cl4 Co7 Gd45 O254 -","- C324 H672 Cl16 Co28 Gd180 O1016 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1308","0.0835","","","0.22","0.2517","","","","","","1.031","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230274","31.6894","0.001","36.5011","0.0011","39.6432","0.0015","90","","107.229","0.003","90","","43798","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Gd45 Ni7 O388 -","- C70 H148 Cl4 Gd45 Ni7 O251 -","- C280 H592 Cl16 Gd180 Ni28 O1004 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.2456","0.124","","","0.2658","0.3184","","","","","","1.053","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230275","31.4199","0.0009","36.1969","0.0008","39.2591","0.0013","90","","107.313","0.003","90","","42627","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Dy45 O388 -","- C82 H175 Cl4 Co7 Dy45 O253 -","- C328 H700 Cl16 Co28 Dy180 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1511","0.0873","","","0.2249","0.2611","","","","","","1.023","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230276","31.3304","0.0013","35.9748","0.001","39.1007","0.0015","90","","107.174","0.004","90","","42106","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Dy45 Ni7 O388 -","- C82 H176 Cl4 Dy45 Ni7 O253 -","- C328 H704 Cl16 Dy180 Ni28 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1762","0.1043","","","0.2529","0.3065","","","","","","0.971","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230277","27.0371","0.0012","7.9845","0.0003","6.4776","0.0003","90","","90","","90","","1398.37","0.1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H19 Co Mo N6 O11 -","- C2 H19 Co Mo N6 O11 -","- C8 H76 Co4 Mo4 N24 O44 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0254","0.0223","","","0.0558","0.0567","","","","","","1.075","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230278","10.2131","0.0003","13.1299","0.0004","13.2356","0.0003","79.39","0.002","84.259","0.002","77.997","0.002","1702.85","0.08","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","1","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0324","0.0226","","","0.0462","0.0473","","","","","","0.908","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230279","10.7699","0.0005","22.3609","0.0009","15.1262","0.0008","90","","90","","90","","3642.8","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H46 Co2 Mo2 N8 O28 -","- C16 H44 Co2 Mo2 N8 O28 -","- C64 H176 Co8 Mo8 N32 O112 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0659","0.0423","","","0.0855","0.0946","","","","","","1.033","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230280","13.5465","0.0003","11.691","0.0003","28.9847","0.0007","90","","90","","90","","4590.37","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H64 Co2 Mo3 N12 O29 -","- C18 H50 Co2 Mo3 N12 O29 -","- C72 H200 Co8 Mo12 N48 O116 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0425","0.0311","","","0.067","0.0688","","","","","","0.913","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230281","12.8719","0.001","10.4734","0.0007","14.5744","0.001","90","","112.997","0.008","90","","1808.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 Co2 Mo2 N8 O27 -","- C16 H36 Co2 Mo2 N8 O27 -","- C32 H72 Co4 Mo4 N16 O54 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0662","0.0462","","","0.1202","0.1248","","","","","","0.984","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230282","10.0883","0.0012","11.928","0.0013","15.268","0.004","67.802","0.007","86.402","0.002","75.04","0.01","1642.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 Co2 Mo N8 O23 -","- C14 H46 Co2 Mo N8 O23 -","- C28 H92 Co4 Mo2 N16 O46 -","2","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0802","0.0571","","","0.132","0.1378","","","","","","0.911","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230283","10.5531","0.0003","16.1106","0.0006","23.2787","0.0007","90","","90","","90","","3957.8","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H50 Co2 Mo4 N12 O34 -","- C8 H49 Co2 Mo4 N12 O34 -","- C32 H196 Co8 Mo16 N48 O136 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0233","0.0198","","","0.0421","0.0426","","","","","","0.964","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230284","13.5099","0.001","17.5536","0.001","9.9621","0.0008","90","","87.737","0.006","90","","2360.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Co2 Mo4 N12 O33 -","- C20 H60 Co2 Mo4 N12 O33 -","- C40 H120 Co4 Mo8 N24 O66 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.1009","0.0534","","","0.1317","0.1406","","","","","","0.893","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230287","6.9761","0.0006","7.6181","0.0006","8.3283","0.0007","90","","94.646","0.004","90","","441.15","0.06","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C18 H26 N2 O4 -","2","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0718","0.0709","","","0.2021","0.2041","","","","","","1.114","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230288","6.7615","0.0003","18.9173","0.0007","7.8044","0.0003","90","","105.934","0.0019","90","","959.9","0.07","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methoxybenzylammonium Formate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0281","0.0272","","","0.0738","0.0747","","","","","","1.052","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230289","16.7899","0.001","4.7766","0.0003","11.55","0.0006","90","","104.162","0.003","90","","898.14","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chlorobenzylammonium Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0472","0.0446","","","0.1072","0.1085","","","","","","1.143","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230290","6.9086","0.0003","17.9665","0.0007","9.184","0.0003","90","","90","","90","","1139.95","0.08","111","2","110.96","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Naphthylethylammonium Formate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0313","0.0299","","","0.0793","0.081","","","","","","1.04","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230291","8.5468","0.0005","11.0536","0.0007","17.5296","0.001","90","","90","","90","","1656.07","0.17","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium Formate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0398","0.0354","","","0.0975","0.1027","","","","","","1.045","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230292","16.9827","0.0008","4.8029","0.0002","11.5315","0.0006","90","","103.947","0.003","90","","912.85","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0435","0.0365","","","0.0982","0.1046","","","","","","0.945","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230293","17.09","0.008","4.909","0.002","11.565","0.006","90","","109.75","0.03","90","","913.2","0.8","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.072","0.0483","","","0.1261","0.1418","","","","","","1.024","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230294","16.7551","0.0013","4.8441","0.0004","11.4478","0.0009","90","","109.041","0.003","90","","878.3","0.12","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzylammonum Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0242","0.0231","","","0.0648","0.0657","","","","","","1.103","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230295","8.6054","0.0008","16.7131","0.0015","39.418","0.003","90","","92.227","0.002","90","","5664.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H76 N4 O20 P6 Zn2 -","- C44 H76 N4 O20 P6 Zn2 -","- C176 H304 N16 O80 P24 Zn8 -","4","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.1062","0.0695","","","0.1614","0.174","","","","","","1.043","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230296","12.2401","0.0004","12.5701","0.0004","13.419","0.0005","93.658","0.002","94.07","0.002","94.367","0.002","2048.47","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cu2 N4 O15 P4 -","- C40 H38 Cu2 N4 O15 P4 -","- C80 H76 Cu4 N8 O30 P8 -","2","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.0443","0.0314","","","0.0735","0.0788","","","","","","1.071","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230297","7.81632","0.00004","7.81632","0.00004","4.01147","0.00003","90","","90","","120","","212.246","0.002","305","","305","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F9 Sc3 -","3","0.125","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.098","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230298","7.8163","0.00004","7.8163","0.00004","8.02294","0.00005","90","","90","","120","","424.489","0.004","305","","305","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F18 Sc6 -","6","0.25","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.094","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230299","11.7678","0.0007","7.1966","0.0005","17.1615","0.0011","90","","90","","90","","1453.38","0.16","100","2","100.05","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Bolla, Geetha; Myerson, Allan S.","SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation","CrystEngComm","2018","20","15","2084","","10.1039/C8CE00272J","","","0.71073","MoKα","","0.0417","0.0386","","","0.1131","0.116","","","","","","1.082","","","","has coordinates","229097","2020-10-21","18:00:00",""
"7230304","15.225","0.003","19.518","0.004","10.927","0.002","90","","93.42","0.03","90","","3241.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu3 N6 O10 -","- C24 H22 Cu3 N4 O10 -","- C96 H88 Cu12 N16 O40 -","4","0.5","","Yuan, Jiaqi; Mu, Li; Li, Jiantang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A water stable microporous metal‒organic framework based on rod SBUs: synthesis, structure and adsorption properties","CrystEngComm","2018","20","15","2169","","10.1039/C8CE00064F","","","0.71073","MoKα","","0.0217","0.0192","","","0.0522","0.053","","","","","","1.088","","","","has coordinates","229096","2020-10-21","18:00:00",""
"7230307","9.7557","0.0004","10.0386","0.0004","11.7809","0.0004","90","","100.132","0.003","90","","1135.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1072","0.0753","","","0.2202","0.2453","","","","","","1.049","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230308","9.6547","0.0005","10.057","0.0005","11.7482","0.0005","90","","100.553","0.004","90","","1121.42","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0768","0.051","","","0.126","0.1424","","","","","","1.053","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230309","18.786","0.003","20.184","0.003","11.6566","0.0017","90","","101.624","0.009","90","","4329.3","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1697","0.0736","","","0.1309","0.1626","","","","","","0.94","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230310","18.9397","0.0012","20.1917","0.0012","11.7038","0.0007","90","","101.45","0.003","90","","4386.7","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0705","0.0485","","","0.1192","0.1336","","","","","","1.06","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230311","9.5229","0.0013","10.1012","0.0011","11.7207","0.0014","90","","101.215","0.008","90","","1105.9","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1073","0.0738","","","0.1959","0.2203","","","","","","1.096","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230312","19.044","0.003","20.209","0.002","11.7215","0.0014","90","","101.207","0.008","90","","4425.1","1","190","2","190","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1165","0.0802","","","0.2145","0.2591","","","","","","1.11","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230315","14.5415","0.0018","5.0163","0.0006","14.8807","0.0018","90","","100.551","0.002","90","","1067.1","0.2","173","2","173","2","","","","","","","non-photochromic","4","P 1 21/n 1","-P 2yn","14","5Me3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0543","0.0426","","","0.1112","0.1185","","","","","","1.049","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230316","6.1596","0.0004","7.4634","0.0004","12.7106","0.0006","77.175","0.003","81.457","0.003","78.821","0.003","555.53","0.05","293","2","293","2","","","","","","","non-photochromic","4","P -1","-P 1","2","5OMe-3SAP","4-methoxy-2-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0807","0.0618","","","0.1638","0.1998","","","","","","1.062","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230317","8.5222","0.0014","10.8771","0.0015","11.5925","0.0019","106.506","0.006","103.783","0.004","112.254","0.01","878.2","0.3","298","2","298","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br3SAP-3,4OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/3,4-dihydroxybenzoic acid","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1664","0.0644","","","0.1234","0.1606","","","","","","0.963","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230318","33.0322","0.0016","6.2046","0.0003","18.52","0.0008","90","","109.216","0.001","90","","3584.2","0.3","296","2","296","2","","","","","","","photochromic","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-4ClBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Br Cl N2 O3 -","- C19 H14 Br Cl N2 O3 -","- C152 H112 Br8 Cl8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0691","0.0452","","","0.1144","0.1468","","","","","","1.093","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230319","5.8531","0.0009","7.5224","0.0012","13.598","0.002","94.526","0.007","93.369","0.007","99.31","0.007","587.42","0.16","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br-5M3SAP","(E)-4-bromo-2-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C26 H22 Br2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0496","0.0341","","","0.0766","0.0826","","","","","","1.011","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230320","5.8388","0.0013","7.4762","0.0017","13.369","0.003","93.793","0.007","93.656","0.007","99.044","0.007","573.4","0.2","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Cl-5Me3SAP","4-chloro-6-[(E)-3-pyridylimino-5-methyl]phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C26 H22 Cl2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0518","0.0418","","","0.1126","0.1196","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230321","32.6081","0.0014","6.1424","0.0003","17.8481","0.0008","90","","106.922","0.003","90","","3420","0.3","173","2","173","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Br3SAP-BA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/benzoic acid","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C152 H120 Br8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0499","0.0416","","","0.1075","0.1145","","","","","","1.072","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230322","6.0801","0.0005","15.186","0.0013","16.4018","0.0014","90","","90","","90","","1514.4","0.2","293","2","293","2","","","","","","","non-photochromic","4","P 21 21 21","P 2ac 2ab","19","3Me-5MSAP","(E)-2-(tert-butyl)-6-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0573","0.0473","","","0.115","0.1221","","","","","","1.052","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230323","8.2123","0.0002","12.336","0.0002","13.0008","0.0002","65.655","0.001","78.648","0.001","83.568","0.001","1175.78","0.04","296","2","296","2","","","","","","","photochromic","5","P 1","P 1","1","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-dihydroxybenzoic acid","","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","1","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.065","0.0464","","","0.1011","0.1303","","","","","","1.123","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230324","34.7332","0.0018","3.8928","0.0002","28.2337","0.0015","90","","99.982","0.002","90","","3759.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-chrolobenzoic acid","","- C19 H13 Br Cl2 N2 O3 -","- C19 H13 Br Cl2 N2 O3 -","- C152 H104 Br8 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.1411","0.0982","","","0.2357","0.2972","","","","","","1.194","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230325","14.6532","0.0003","4.5263","0.0001","18.6301","0.0004","90","","92.499","0.002","90","","1234.46","0.05","293","2","293","2","","","","","","","non-photochromic","5","P 1 21/n 1","-P 2yn","14","35Br-3SAP","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C48 H32 Br8 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0471","0.0384","","","0.0988","0.1027","","","","","","1.038","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230326","26.1636","0.0006","3.8091","0.0001","34.4455","0.0006","90","","137.464","0.001","90","","2320.78","0.1","293","2","293","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","35Cl-3SAP","2,4-dichloro6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0603","0.0455","","","0.1208","0.1315","","","","","","1.099","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230327","32.818","0.008","6.238","0.0015","18.465","0.005","90","","109.44","0.004","90","","3564.6","1.6","296","2","296","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Cl3SAP-4ClBA","4-chloro-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Cl2 N2 O3 -","- C19 H14 Cl2 N2 O3 -","- C152 H112 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.081","0.0456","","","0.1141","0.1481","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230328","37.206","0.003","7.3594","0.0006","7.5694","0.0006","90","","91.589","0.002","90","","2071.8","0.3","296","2","296","2","","","","","","","photochromic","5","C 1 2 1","C 2y","5","35Br3SAP-35NO2BA","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid","","- C19 H12 Br2 N4 O7 -","- C19 H12 Br2 N4 O7 -","- C76 H48 Br8 N16 O28 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0967","0.0473","","","0.1044","0.1427","","","","","","1.082","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230329","33.7985","0.0006","6.9174","0.0001","6.1746","0.0001","90","","92.79","0.001","90","","1441.9","0.04","173","2","173","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C60 H44 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.034","0.0316","","","0.0757","0.0786","","","","","","1.094","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230330","6.1462","0.0006","18.7572","0.0019","16.1025","0.0016","90","","95.859","0.002","90","","1846.7","0.3","297","2","297","2","","","","","","","photochromic","4","P 1 21 1","P 2yb","4","35tBu-3SAP","2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","2","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1515","0.0686","","","0.1397","0.1736","","","","","","1.03","","","","has coordinates,has disorder","229094","2020-10-21","18:00:00",""
"7230331","6.1651","0.0012","66.924","0.013","6.833","0.0013","90","","90","","90","","2819.2","0.9","93","2","93","2","","","","","","","non-photochromic","6","P n m a","-P 2ac 2n","62","5Br3SAP-13IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C120 H88 Br8 I8 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.6998","","","0.0339","0.0294","","","0.0768","0.0797","","","","","","1.06","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230332","3.8264","0.0001","20.7111","0.0007","21.2587","0.0008","90","","93.89","0.002","90","","1680.85","0.1","173","2","173","2","","","","","","","non-photochromic","5","P 1 21/c 1","-P 2ybc","14","5Br3SAP-2OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid","","- C19 H15 Br N2 O4 -","- C19 H15 Br N2 O4 -","- C76 H60 Br4 N8 O16 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0337","0.0312","","","0.0809","0.0834","","","","","","1.101","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230333","41.659","0.005","24.658","0.003","4.842","0.0006","90","","90","","90","","4973.8","1","293","2","293","2","","","","","","","non-photochromic","4","F d d 2","F 2 -2d","43","3OEt-3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0767","0.0474","","","0.1018","0.1202","","","","","","1.006","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230334","13.1386","0.0003","7.1572","0.0002","11.8627","0.0002","90","","116.8","0.001","90","","995.69","0.04","293","2","293","2","","","","","","","non-photochromic","4","P 1 21/c 1","-P 2ybc","14","4OH-3SAP","3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0439","0.0402","","","0.1153","0.1201","","","","","","1.08","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230335","37.851","0.002","6.9901","0.0004","6.168","0.003","90","","90.041","0.002","90","","1631.9","0.8","93","2","93","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IbiPh","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl","","- C18 H13 Br I N2 O -","- C18 H13 Br I N2 O -","- C72 H52 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0417","0.0377","","","0.0813","0.0838","","","","","","1.05","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230336","6.8909","0.0004","11.4787","0.0006","13.1419","0.0007","76.205","0.004","89.221","0.004","85.231","0.004","1006.01","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1036","0.058","","","0.1443","0.1786","","","","","","1.006","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230337","27.449","0.007","7.0744","0.0017","21.677","0.006","90","","117.695","0.007","90","","3727.1","1.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl N O6 -","- C20 H22 Cl N O6 -","- C160 H176 Cl8 N8 O48 -","8","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1602","0.0668","","","0.1078","0.1273","","","","","","1.023","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230338","13.7071","0.0005","14.3458","0.0008","20.3751","0.0008","90","","90","","90","","4006.5","0.3","100.6","0.4","100.6","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H46 Cu2 N10 O13 -","- C32 H46 Cu2 N10 O12.99 -","- C128 H184 Cu8 N40 O51.96 -","4","0.5","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0737","0.0606","","","0.1486","0.1603","","","","","","1.039","","","","has coordinates,has disorder","228997","2020-10-21","18:00:00",""
"7230339","12.75","0.005","19.729","0.005","20.627","0.005","90","0.005","90","0.005","90","0.005","5189","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 Cu3 N12 O15 -","- C46 H58 Cu3 N12 O15 -","- C184 H232 Cu12 N48 O60 -","4","1","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0647","0.0483","","","0.1147","0.1248","","","","","","1.008","","","","has coordinates","228997","2020-10-21","18:00:00",""
"7230340","23.705","0.002","5.4148","0.0006","5.4345","0.0006","90","","90","","90","","697.56","0.12","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bismuth Tungstate","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","0.5","","Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang","Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties","CrystEngComm","2018","20","19","2669","","10.1039/C8CE00189H","","","0.71073","MoKα","","0.0313","0.0258","","","0.0674","0.071","","","","","","1.071","","","","has coordinates","229017","2020-10-21","18:00:00",""
"7230341","7.8674","0.0006","17.7109","0.0016","21.9456","0.0018","90","","98.763","0.002","90","","3022.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 I6 N2 O0 Pb2 -","- C16 H22 I6 N2 Pb2 -","- C64 H88 I24 N8 Pb8 -","4","1","","Wang, Yifang; Zhang, Jie; Huang, Jia; Zhang, Haoyu; Fu, Zhiyong","A lead-iodide based single crystal semiconductor: exploring multi-orientation photoconductive behaviour via intervening isopropyl viologen component between the inorganic [Pb2I6]2−n wires","CrystEngComm","2018","20","15","2089","","10.1039/C8CE00153G","","","0.71073","MoKα","","0.0583","0.0391","","","0.0898","0.103","","","","","","1.001","","","","has coordinates","229095","2020-10-21","18:00:00",""
"7230349","7.0822","0.0001","15.6783","0.0002","14.5087","0.0002","90","","96.968","0.001","90","","1599.1","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H9 F6 N -","- C19 H9 F6 N -","- C76 H36 F24 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0517","0.0458","","","0.118","0.1232","","","","","","1.049","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230350","15.1227","0.0003","15.8558","0.0003","14.7066","0.0003","90","","111.484","0.001","90","","3281.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C160 H88 F48 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0746","0.0413","","","0.0897","0.1043","","","","","","1.018","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230351","15.2613","0.0002","15.7199","0.0003","14.1251","0.0002","90","","92.822","0.001","90","","3384.59","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F9 N -","- C20 H8 F9 N -","- C160 H64 F72 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0467","0.0367","","","0.0918","0.1019","","","","","","1.043","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230352","10.5779","0.0002","8.9018","0.0002","16.0143","0.0004","90","","98.611","0.001","90","","1490.95","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N -","- C19 H12 F3 N -","- C76 H48 F12 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0575","0.0461","","","0.1234","0.1332","","","","","","1.038","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230353","15.848","0.0015","15.2591","0.0014","24.008","0.002","90","","107.003","0.002","90","","5552","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 F6 N -","- C16 H9 F6 N -","- C256 H144 F96 N16 -","16","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0562","0.0393","","","0.1011","0.1127","","","","","","1.022","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230354","9.6056","0.0004","9.6645","0.0003","18.9511","0.0009","102.483","0.001","100.815","0.002","90.058","0.003","1685.61","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C80 H44 F24 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.061","0.0498","","","0.1321","0.1418","","","","","","1.039","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230355","7.5758","0.0003","11.2809","0.0005","16.6769","0.0009","103.657","0.003","101.408","0.003","105.29","0.002","1283.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0566","0.0402","","","0.1053","0.1159","","","","","","1.024","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230356","10.2655","0.0004","17.261","0.0006","13.9511","0.0005","90","","90.431","0.002","90","","2471.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C120 H80 F24 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0984","0.0623","","","0.1643","0.1901","","","","","","1.044","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230357","9.0038","0.0002","9.5959","0.0004","10.8293","0.0001","71.665","0.001","75.536","0.003","63.7","0.002","789.48","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F3 N -","- C20 H14 F3 N -","- C40 H28 F6 N2 -","2","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0453","0.0354","","","0.0922","0.0993","","","","","","1.04","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230358","10.7741","0.0005","16.4781","0.0007","22.9605","0.001","109.808","0.002","90.168","0.002","90.052","0.002","3835.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 F3 N -","- C23 H20 F3 N -","- C184 H160 F24 N8 -","8","4","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0753","0.0558","","","0.1317","0.1443","","","","","","1.035","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230359","18.5534","0.0002","22.8539","0.0003","20.0964","0.0003","90","","107.354","0.0015","90","","8133.3","0.2","291.11","0.1","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C60 H20 Cd N4 O24 -","- C60 H20 Cd N4 O24 -","- C240 H80 Cd4 N16 O96 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0599","0.055","","","0.15","0.1555","","","","","","1.046","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230360","10.2186","0.0002","36.8564","0.0009","15.2343","0.0004","90","","90","","90","","5737.6","0.2","99.98","0.02","99.98","0.02","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C34 H13 N4 O14 Zn2 -","- C34 H13 N4 O14 Zn2 -","- C136 H52 N16 O56 Zn8 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0825","0.0702","","","0.2199","0.2314","","","","","","1.156","","","","has coordinates,has disorder","229001","2020-10-21","18:00:00",""
"7230361","23.4194","0.0004","13.9077","0.0002","33.604","0.0006","90","","90.9341","0.0016","90","","10943.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H40 Ba4 N9 O31 -","- C71 H40 Ba4 N9 O31 -","- C284 H160 Ba16 N36 O124 -","4","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.1355","0.0981","","","0.2966","0.3198","","","","","","1.171","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230362","9.8893","0.0009","16.7182","0.0004","17.3044","0.0004","63.933","0.002","78.652","0.007","86.531","0.005","2518.6","0.3","291.87","0.1","291.87","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Ca2 Cl N6 O16 -","- C46 H47 Ca2 Cl N6 O16 -","- C92 H94 Ca4 Cl2 N12 O32 -","2","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","x-ray","1.54184","CuKα","","0.0693","0.0617","","","0.1762","0.1837","","","","","","1.091","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230363","12.749","0.003","26.186","0.005","8.2336","0.0016","90","","106.89","0.03","90","","2630.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I6 N2 O2 Pb -","- C18 H14 I6 N2 O2 Pb -","- C72 H56 I24 N8 O8 Pb4 -","4","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0482","0.0359","","","0.0716","0.076","","","","","","1.063","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230364","8.3858","0.0017","15.738","0.003","18.332","0.004","112.14","0.03","98.33","0.03","96.94","0.03","2176.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I7 N4 O5 Pb -","- C36 H30 I7 N4 O5 Pb -","- C72 H60 I14 N8 O10 Pb2 -","2","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0931","0.0589","","","0.1463","0.1715","","","","","","0.869","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230365","14.4059","0.0004","3.87086","0.0001","21.199","0.0005","90","","104.308","0.003","90","","1145.46","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0243","0.0217","","","0.0567","0.0586","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230366","10.3502","0.0004","4.57161","0.00014","22.7222","0.0012","90","","100.633","0.004","90","","1056.69","0.08","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0482","0.0336","","","0.0821","0.0886","","","","","","1.041","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230367","3.76509","0.0001","47.3024","0.0012","5.91017","0.00016","90","","91.941","0.003","90","","1051.98","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0574","0.055","","","0.1415","0.143","","","","","","1.228","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230368","3.7823","0.00011","22.3928","0.0006","12.7185","0.0004","90","","91.041","0.003","90","","1077.03","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-fluorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0374","0.0334","","","0.0865","0.0902","","","","","","1.072","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230369","11.6356","0.0005","3.82523","0.00014","25.2133","0.001","90","","91.488","0.004","90","","1121.84","0.08","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-chlorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0468","0.0372","","","0.0996","0.1056","","","","","","1.03","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230370","4.77341","0.00015","15.3325","0.0005","15.7201","0.0004","90","","90","","90","","1150.53","0.06","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-bromophenyl)-2-(pyridin-3-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.041","0.0365","","","0.0851","0.0863","","","","","","1.016","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230371","3.8248","0.00007","5.9631","0.0001","48.2653","0.0008","90","","90","","90","","1100.82","0.03","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0547","0.0545","","","0.1262","0.1262","","","","","","1.178","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230372","7.4111","0.0002","15.5974","0.0005","10.2178","0.0003","90","","103.82","0.003","90","","1146.92","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-4-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0334","0.0257","","","0.061","0.0665","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230373","4.67306","0.00008","15.4504","0.0003","15.4973","0.0003","90","","90","","90","","1118.92","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0683","0.0695","","","","","","1.071","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230374","6.4852","0.0002","14.3549","0.0004","15.7193","0.0011","90","","90","","90","","1463.38","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl Cu N2 O7 -","- C14 H11 Cl Cu N2 O7 -","- C56 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","1.54184","CuKα","","0.0556","0.0532","","","0.1471","0.1493","","","","","","1.128","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230375","10.3927","0.0017","7.2489","0.0012","11.146","0.0018","90","","116.46","0.002","90","","751.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0345","0.0291","","","0.0633","0.0649","","","","","","1.006","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230376","7.0214","0.0012","18.01","0.003","19.735","0.003","90","","90","","90","","2495.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Cu N3 O4 -","- C12 H13 Cu N3 O4 -","- C96 H104 Cu8 N24 O32 -","8","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0605","0.0445","","","0.0892","0.0943","","","","","","1.157","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230377","6.5406","0.0013","14.063","0.003","15.063","0.003","90","","90","","90","","1385.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl Cu N2 O7 -","- C12 H11 Cl Cu N2 O7 -","- C48 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.024","0.0213","","","0.0547","0.0561","","","","","","1.083","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230378","10.2071","0.0006","9.4026","0.0005","16.5141","0.0009","90","","91.226","0.002","90","","1584.55","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl Cu N3 O8 -","- C12 H14 Cl Cu N3 O8 -","- C48 H56 Cl4 Cu4 N12 O32 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","","","0.0272","0.0236","","","0.06","0.0616","","","","","","1.075","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230379","13.128","0.0009","8.7729","0.0006","25.0767","0.0016","90","","90.356","0.002","90","","2888","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Cu2 N6 O14 -","- C22 H26 Cl2 Cu2 N6 O14 -","- C88 H104 Cl8 Cu8 N24 O56 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0581","0.0379","","","0.0757","0.0819","","","","","","1.038","","","","has coordinates,has disorder","228999","2020-10-21","18:00:00",""
"7230393","8.7593","0.0018","13.386","0.004","19.541","0.004","90","","90","","90","","2291.2","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","zhu00010","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.0458","0.0395","","","0.1048","0.1106","","","","","","1.049","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230394","12.758","0.005","14.223","0.005","12.808","0.005","90","","93.522","0.004","90","","2319.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3O","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.1019","0.0879","","","0.27","0.2873","","","","","","1.064","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230398","8.674","0.0004","9.2402","0.0004","9.7072","0.0004","94.987","0.002","109.996","0.002","90.045","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.043","0.0353","","","0.0925","0.0986","","","","","","1.042","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230399","8.6748","0.0004","9.2418","0.0004","9.7123","0.0005","95.073","0.002","110.088","0.002","90.128","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0799","0.0843","","","","","","1.03","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230400","9.866","0.0003","11.0557","0.0003","16.886","0.0005","80.416","0.002","88.478","0.003","86.132","0.002","1811.79","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0633","0.0395","","","0.0856","0.0961","","","","","","1.037","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230401","9.8533","0.0005","11.0612","0.0006","16.9145","0.0009","80.528","0.002","88.607","0.003","86.101","0.002","1814","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0598","0.0413","","","0.1012","0.1107","","","","","","1.013","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230402","9.8602","0.0005","11.0507","0.0006","16.8724","0.0009","80.39","0.002","88.453","0.004","86.193","0.002","1808.42","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0786","0.0475","","","0.1166","0.1316","","","","","","1.031","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230403","8.667","0.0002","9.2424","0.0003","9.701","0.0003","95.062","0.002","110.09","0.002","90.142","0.002","726.51","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0284","0.0252","","","0.0668","0.0698","","","","","","1.021","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230412","14.96","0.002","17.1","0.003","17.112","0.003","90","","110.277","0.009","90","","4106.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Fe N4 O2 -","- C52 H48 B Fe N4 O2 -","- C208 H192 B4 Fe4 N16 O8 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0767","0.043","","","0.0892","0.0965","","","","","","1.025","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230413","8.6116","0.0003","15.4474","0.0004","20.476","0.0006","90","","96.769","0.002","90","","2704.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl Fe N4 O4 -","- C30 H36 Cl Fe N4 O4 -","- C120 H144 Cl4 Fe4 N16 O16 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0566","0.0422","","","0.1172","0.1245","","","","","","1.066","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230414","16.4142","0.0003","15.1139","0.0004","20.9988","0.0006","90","","90","","90","","5209.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 B F4 Fe N4 O2 -","- C28 H28 B F4 Fe N4 O2 -","- C224 H224 B8 F32 Fe8 N32 O16 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0556","0.0331","","","0.0762","0.0834","","","","","","1.043","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230415","16.7007","0.0007","15.1105","0.0008","20.7773","0.0011","90","0.005","90","0.005","90","0.005","5243.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl Fe N4 O6 -","- C28 H28 Cl Fe N4 O6 -","- C224 H224 Cl8 Fe8 N32 O48 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71069","MoKα","","0.1147","0.0527","","","0.1055","0.1219","","","","","","0.93","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230416","9.0754","0.0018","10.218","0.002","20.432","0.004","76.34","0.03","80.19","0.03","68.14","0.03","1701.6","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","1","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1569","0.087","","","0.1766","0.2053","","","","","","1.015","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230417","19.703","0.004","16.999","0.003","27.263","0.005","90","","92.9","0.03","90","","9120","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H51 Cu2 F42 N6 O20 Y -","- C73 H51 Cu2 F42 N6 O20 Y -","- C292 H204 Cu8 F168 N24 O80 Y4 -","4","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1089","0.0898","","","0.2156","0.2304","","","","","","1.056","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230418","10.94","0.002","12.365","0.003","18.073","0.004","86.35","0.03","78.63","0.03","83.48","0.03","2379.2","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 Cu2 F24 N3 O11 -","- C39 H26 Cu2 F24 N3 O11 -","- C78 H52 Cu4 F48 N6 O22 -","2","1","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.0666","0.0553","","","0.1542","0.164","","","","","","1.036","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230419","12.0704","0.0003","8.5358","0.0001","17.9826","0.0003","90","","106.041","0.001","90","","1780.62","0.06","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br2 N2 -","- C34 H58 Br2 N2 -","- C68 H116 Br4 N4 -","2","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0753","0.0667","","","0.2042","0.2152","","","","","","1.09","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230420","27.3945","0.0004","15.206","0.0002","11.1953","0.0002","90","","90","","90","","4663.52","0.12","130","2","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H68 Br2 Cl6 N2 -","- C40 H68 Br2 Cl6 N2 -","- C160 H272 Br8 Cl24 N8 -","4","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0436","0.0391","","","0.0937","0.0967","","","","","","1.047","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230421","57.9542","0.0014","8.3909","0.0002","10.5626","0.0003","90","","90","","90","","5136.5","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H41 N O4 S -","- C25 H41 N O4 S -","- C200 H328 N8 O32 S8 -","8","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0305","0.0291","","","0.0839","0.0856","","","","","","1.056","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230422","8.4477","0.0003","10.137","0.0003","29.0003","0.0008","97.1637","0.001","91.7536","0.0012","94.3756","0.0011","2454.83","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 F6 N O P -","- C23 H34 F6 N O P -","- C92 H136 F24 N4 O4 P4 -","4","2","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0733","0.0508","","","0.1347","0.1529","","","","","","1.05","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230423","10.5341","0.0002","20.31","0.0005","38.1037","0.0009","80.3923","0.001","83.5583","0.001","76.8971","0.001","7805.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 F6 N2 O5 S2 -","- C27 H38 F6 N2 O5 S2 -","- C270 H380 F60 N20 O50 S20 -","10","5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0948","0.0767","","","0.2098","0.2363","","","","","","1.062","","","","has coordinates,has disorder","229100","2020-10-21","18:00:00",""
"7230424","8.3825","0.0004","14.3515","0.0008","13.3425","0.0007","90","","96.835","0.005","90","","1593.71","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0564","0.0424","","","0.0972","0.1038","","","","","","1.047","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230425","14.912","0.0004","6.9922","0.0002","37.2099","0.0013","90","","90","","90","","3879.8","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0657","0.0475","","","0.108","0.1163","","","","","","1.029","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230426","8.308","0.0004","13.9039","0.0008","13.658","0.0006","90","","96.642","0.004","90","","1567.1","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.7149","synchrotron","","0.0721","0.0531","","","0.13","0.1393","","","","","","1.042","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230427","10.4953","0.0009","19.9612","0.0019","8.1903","0.0007","90","","90","","90","","1715.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.1027","0.0564","","","0.0973","0.1144","","","","","","1.036","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230428","11.5183","0.0003","24.435","0.0007","7.1002","0.0002","90","","98.786","0.003","90","","1974.9","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0578","0.048","","","0.1197","0.1257","","","","","","1.034","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230429","10.9418","0.0007","22.2438","0.0013","8.074","0.0006","90","","99.632","0.007","90","","1937.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0898","0.0539","","","0.096","0.1074","","","","","","1.06","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230430","17.696","0.0006","15.103","0.0004","6.9665","0.0003","90","","92.41","0.004","90","","1860.24","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O -","- C23 H22 Cl N O -","- C92 H88 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0588","0.0409","","","0.0997","0.1049","","","","","","1.011","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230431","11.768","0.003","25.295","0.005","7.006","0.002","90","","104.7","0.03","90","","2017.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","","- C19 H20 N2 O7 S -","- C19 H19.999 N2 O6.996 S0.999 -","- C76 H79.996 N8 O27.984 S3.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.1193","0.0611","","","0.1371","0.15","","","","","","1.027","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230432","18.8741","0.0012","6.2632","0.0003","14.2571","0.0007","90","","98.548","0.006","90","","1666.64","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0782","0.0713","","","0.1728","0.1773","","","","","","1.063","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230433","12.0289","0.0005","12.4435","0.0005","17.4047","0.0007","76.128","0.004","81.814","0.004","79.953","0.004","2476.58","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","","- C40 H60.5 N2 O22.5 P3.5 -","- C40 H56.5 N2 O22.501 P3.5 -","- C80 H113 N4 O45.002 P7 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0726","0.0536","","","0.1423","0.1599","","","","","","1.012","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230434","11.5976","0.0003","23.9015","0.0006","7.36093","0.00015","90","","98.766","0.002","90","","2016.62","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0395","0.0345","","","0.0873","0.092","","","","","","1.048","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230435","12.8779","0.0005","10.4911","0.0005","12.8498","0.0007","90","","94.836","0.004","90","","1729.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br N O1.5 -","- C19 H20.998 Br N O1.499 -","- C76 H83.992 Br4 N4 O5.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0626","0.0459","","","0.1022","0.1086","","","","","","1.049","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230436","7.227","0.003","10.0542","0.001","12.687","0.003","80.825","0.014","89","0.02","88.089","0.018","909.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C38 H38 N6 O12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.125","0.0646","","","0.1281","0.137","","","","","","1.046","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230437","7.8327","0.0005","16.019","0.0013","15.1017","0.0019","90","","90","","90","","1894.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0315","0.0302","","","0.0774","0.078","","","","","","1.014","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230438","17.8583","0.0018","15.1686","0.001","6.9757","0.0003","90","","93.704","0.007","90","","1885.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0873","0.0697","","","0.1803","0.1897","","","","","","1.055","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230439","12.6562","0.0003","13.9654","0.0007","28.3803","0.0012","83.572","0.004","79.127","0.003","78.777","0.003","4817.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H104 N12 O37 P6 -","- C84 H104 N12 O37 P6 -","- C168 H208 N24 O74 P12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0726","0.0471","","","0.1149","0.1288","","","","","","1.005","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230440","11.6901","0.0009","12.0958","0.0011","13.7122","0.0012","94.427","0.001","109.263","0.002","117.662","0.003","1558.4","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 La N2 O8 -","- C36 H25 Fe2 La N2 O8 -","- C72 H50 Fe4 La2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1063","0.0827","","","0.2352","0.2527","","","","","","1.015","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230441","11.5732","0.0009","12.0184","0.0011","13.6433","0.0012","94.667","0.001","109.238","0.002","117.504","0.003","1526.2","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Ce Fe2 N2 O8 -","- C36 H25 Ce Fe2 N2 O8 -","- C72 H50 Ce2 Fe4 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0991","0.1096","","","","","","0.971","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230442","11.6308","0.0011","12.1047","0.0012","13.7228","0.0013","94.562","0.001","109.213","0.001","117.492","0.002","1555.4","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 Nd O8 -","- C36 H25 Fe2 N2 Nd O8 -","- C72 H50 Fe4 N4 Nd2 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0481","0.0366","","","0.0793","0.0841","","","","","","0.972","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230443","11.3229","0.0011","10.413","0.0009","17.3743","0.0015","90","","90.417","0.001","90","","2048.5","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Ce2 Fe3 O17 -","- C40 H42 Ce2 Fe3 O17 -","- C80 H84 Ce4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0787","0.0462","","","0.0966","0.1118","","","","","","0.996","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230444","11.3555","0.0011","10.4486","0.0009","17.4158","0.0016","90","","90.562","0.001","90","","2066.3","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Pr2 -","- C40 H42 Fe3 O17 Pr2 -","- C80 H84 Fe6 O34 Pr4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0864","0.0527","","","0.1154","0.1259","","","","","","0.911","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230445","11.6323","0.0008","12.0808","0.0011","13.7012","0.0012","94.556","0.001","109.291","0.002","117.462","0.002","1549.5","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Pr -","- C36 H25 Fe2 N2 O8 Pr -","- C72 H50 Fe4 N4 O16 Pr2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0505","0.0381","","","0.0827","0.088","","","","","","0.968","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230446","11.3463","0.0011","10.4194","0.0009","17.4356","0.0015","90","","90.709","0.001","90","","2061.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tb2 -","- C40 H42 Fe3 O17 Tb2 -","- C80 H84 Fe6 O34 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1053","0.0589","","","0.1366","0.1623","","","","","","0.825","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230447","11.2736","0.0012","10.3725","0.0011","17.2866","0.0017","90","","90.495","0.002","90","","2021.3","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Nd2 O17 -","- C40 H42 Fe3 Nd2 O17 -","- C80 H84 Fe6 Nd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1311","0.0642","","","0.1454","0.1848","","","","","","1.054","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230448","11.2587","0.0008","10.3499","0.0006","17.3086","0.0012","90","","90.52","0.001","90","","2016.8","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Eu2 Fe3 O17 -","- C40 H42 Eu2 Fe3 O17 -","- C80 H84 Eu4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","1.54178","CuKα","","0.0932","0.0703","","","0.1645","0.182","","","","","","1.027","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230449","11.2515","0.0011","10.3397","0.0009","17.251","0.0015","90","","90.612","0.001","90","","2006.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Gd2 O17 -","- C40 H42 Fe3 Gd2 O17 -","- C80 H84 Fe6 Gd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0991","0.0549","","","0.1307","0.166","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230450","11.6356","0.0011","12.1243","0.0012","13.7652","0.0012","94.708","0.001","109.147","0.002","117.358","0.003","1565.3","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Sm -","- C36 H25 Fe2 N2 O8 Sm -","- C72 H50 Fe4 N4 O16 Sm2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.064","0.0423","","","0.0705","0.0766","","","","","","0.903","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230451","11.4571","0.0008","11.9664","0.0009","13.6101","0.0011","94.904","0.001","109.074","0.002","117.141","0.003","1507","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 Gd N2 O8 -","- C36 H25 Fe2 Gd N2 O8 -","- C72 H50 Fe4 Gd2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0638","0.0467","","","0.1194","0.1291","","","","","","0.984","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230452","11.2058","0.0012","10.2498","0.0009","17.3112","0.0019","90","","90.708","0.001","90","","1988.2","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 La2 O17 -","- C40 H42 Fe3 La2 O17 -","- C80 H84 Fe6 La4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0888","0.0614","","","0.1702","0.1938","","","","","","1.034","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230453","14.7692","0.0012","10.8892","0.0009","21.5846","0.0016","90","","90.501","0.001","90","","3471.2","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.62 H27.86 Eu2 Fe3 O13.31 -","- C36.618 H27.854 Eu2 Fe3 O13.309 -","- C146.472 H111.416 Eu8 Fe12 O53.236 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0961","0.0506","","","0.0768","0.0909","","","","","","0.928","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230454","10.6759","0.0008","17.6542","0.0014","15.2541","0.0013","90","","107.965","0.002","90","","2734.8","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Tb2 -","- C62 H48 Fe3 N4 O14 Tb2 -","- C124 H96 Fe6 N8 O28 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.052","0.0315","","","0.0657","0.0753","","","","","","1.094","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230455","10.6759","0.0009","17.6628","0.0016","15.2933","0.0013","90","","108.152","0.002","90","","2740.3","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 Gd2 N4 O14 -","- C62 H48 Fe3 Gd2 N4 O14 -","- C124 H96 Fe6 Gd4 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0474","0.0295","","","0.0654","0.0746","","","","","","1.075","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230456","10.6942","0.0009","17.7327","0.0016","15.3367","0.0014","90","","108.478","0.002","90","","2758.5","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Sm2 -","- C62 H48 Fe3 N4 O14 Sm2 -","- C124 H96 Fe6 N8 O28 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0512","0.0302","","","0.0612","0.0698","","","","","","1.035","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230457","14.0408","0.0013","11.8581","0.0011","14.7027","0.0014","90","","108.905","0.002","90","","2315.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Fe2 N6 Nd2 O14 -","- C48 H32 Fe2 N6 Nd2 O14 -","- C96 H64 Fe4 N12 Nd4 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0757","0.0571","","","0.1418","0.1552","","","","","","1.003","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230458","10.7129","0.0009","17.7399","0.0015","15.3398","0.0013","90","","108.298","0.002","90","","2767.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Eu2 Fe3 N4 O14 -","- C62 H48 Eu2 Fe3 N4 O14 -","- C124 H96 Eu4 Fe6 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0684","0.0386","","","0.0752","0.0867","","","","","","1.05","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230459","11.2715","0.0009","10.3556","0.0008","17.3141","0.0015","90","","90.59","0.001","90","","2020.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Sm2 -","- C40 H42 Fe3 O17 Sm2 -","- C80 H84 Fe6 O34 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0782","0.0454","","","0.1172","0.1468","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230460","11.2291","0.0008","10.2751","0.0006","17.2975","0.0013","90","","90.784","0.001","90","","1995.6","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Er2 Fe3 O17 -","- C40 H42 Er2 Fe3 O17 -","- C80 H84 Er4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0605","0.0425","","","0.0937","0.105","","","","","","1.026","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230461","11.2407","0.0009","10.3184","0.0008","17.3146","0.0015","90","","90.809","0.001","90","","2008.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Dy2 Fe3 O17 -","- C40 H42 Dy2 Fe3 O17 -","- C80 H84 Dy4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1094","0.0569","","","0.1181","0.1489","","","","","","1.025","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230462","11.1973","0.0009","10.2417","0.0008","17.2793","0.0014","90","","90.797","0.001","90","","1981.4","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tm2 -","- C40 H42 Fe3 O17 Tm2 -","- C80 H84 Fe6 O34 Tm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.074","0.0433","","","0.1128","0.1442","","","","","","0.906","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230463","11.2469","0.0011","10.287","0.0009","20.5641","0.0018","90","","122.25","0.004","90","","2012.2","0.3","298","2","298.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H42 Fe3 O17 Yb2 -","- C40 H42 Fe3 O17 Yb2 -","- C80 H84 Fe6 O34 Yb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0671","0.0453","","","0.1153","0.1301","","","","","","0.805","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230464","14.3873","0.0012","10.9087","0.0009","21.6106","0.0017","90","","90.752","0.001","90","","3391.4","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C146.4 H111.2 Fe12 O53.2 Tb8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1146","0.0609","","","0.1277","0.1549","","","","","","1.043","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230465","14.8077","0.0012","10.8766","0.0009","21.5334","0.0018","90","","90.597","0.001","90","","3467.9","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.67 H28 Fe3 O13.34 Sm2 -","- C36.668 H28.004 Fe3 O13.334 Sm2 -","- C146.672 H112.016 Fe12 O53.336 Sm8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0989","0.052","","","0.1062","0.1302","","","","","","0.981","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230481","14.1373","0.0003","11.23707","0.00018","9.45521","0.00017","90","","106.276","0.0019","90","","1441.87","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zonisamide-2-hydroxy-5-methylpyridine","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","0.71073","MoKα","","0.0324","0.0301","","","0.0775","0.079","","","","","","1.056","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230482","9.5902","0.0001","13.3084","0.0001","14.2436","0.0001","90","","91.855","0.001","90","","1816.96","0.03","297.3","0.4","297.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zonisamide:Caffeine","","- C16 H18 N6 O5 S -","- C16 H18 N6 O5 S -","- C64 H72 N24 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","1.54184","CuKα","","0.0504","0.0504","","","0.1446","0.1446","","","","","","1.041","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230490","9.1533","0.0004","11.0888","0.0004","18.0746","0.0007","100.192","0.003","103.814","0.004","90.08","0.003","1751.55","0.13","143","","143","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1228","0.0684","","","0.153","0.1855","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230491","9.1764","0.0004","11.1823","0.0004","18.1079","0.0007","79.869","0.003","76.15","0.003","89.88","0.003","1774.4","0.12","243","","243","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1548","0.0783","","","0.1777","0.2265","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230492","9.1906","0.0005","11.229","0.0006","18.12","0.0009","79.943","0.004","76.137","0.004","89.745","0.004","1786.27","0.17","293","","293","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1783","0.0818","","","0.1859","0.2478","","","","","","1.027","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230493","9.2864","0.0007","11.4128","0.0007","18.2356","0.0012","80.141","0.006","76.139","0.006","89.451","0.006","1847.7","0.2","393","","393","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2562","0.0857","","","0.1952","0.2965","","","","","","0.956","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230494","9.1682","0.0004","11.1406","0.0004","18.1008","0.0007","79.815","0.003","76.166","0.004","89.991","0.003","1765.17","0.13","193","","193","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.133","0.0719","","","0.1601","0.1991","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230495","9.241","0.0005","11.3265","0.0006","18.1906","0.001","80.038","0.005","76.141","0.005","89.607","0.005","1819.49","0.18","343","","343","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2086","0.0841","","","0.1908","0.2665","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230496","7.2349","0.0009","9.5192","0.0015","9.8308","0.0018","87.588","0.014","84.227","0.012","70.714","0.013","635.79","0.18","443","","443","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C26 H30 N6 -","1","0.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1253","0.0758","","","0.2415","0.3135","","","","","","0.965","","","","has coordinates,has disorder","229014","2020-10-21","18:00:00",""
"7230503","14.2424","0.0008","5.0793","0.0003","33.737","0.002","90","","95.632","0.004","90","","2428.8","0.2","123","2","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O7 -","- C27 H24 N4 O7 -","- C108 H96 N16 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0623","0.0473","","","0.1374","0.1485","","","","","","1.05","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230504","21.6006","0.0007","6.6844","0.0003","13.556","0.0005","90","","92.0997","0.0019","90","","1956","0.13","296.15","","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0578","0.0524","","","0.1438","0.1489","","","","","","1.045","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230505","6.5955","0.0013","8.4859","0.0017","10.52","0.002","97.89","0.03","104.35","0.03","105.18","0.03","537.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0623","0.0457","","","0.1113","0.1458","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230506","9.4773","0.0019","11.234","0.002","11.395","0.002","103.42","0.03","105.59","0.03","111.57","0.03","1009.9","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Li3 O17 S2 -","- C14 H15 Li3 O17 S2 -","- C28 H30 Li6 O34 S4 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1022","0.0569","","","0.1578","0.2264","","","","","","1.049","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230507","7.9183","0.0016","23.776","0.005","14.591","0.003","90","","91.53","0.03","90","","2746","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Li4 O25 S2 -","- C14 H30 Li4 O25 S2 -","- C56 H120 Li16 O100 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0914","0.051","","","0.1158","0.1678","","","","","","1.099","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230508","6.744","0.002","7.4426","0.0015","11.956","0.004","82.36","0.03","75.55","0.03","65.57","0.02","528.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Li O9 S -","- C7 H9 Li O9 S -","- C14 H18 Li2 O18 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0835","0.0551","","","0.1154","0.1296","","","","","","1.034","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230509","6.7774","0.0014","19.536","0.004","12.428","0.004","90","","107.44","0.03","90","","1569.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Li2 O14 S -","- C7 H18 Li2 O14 S -","- C28 H72 Li8 O56 S4 -","4","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0628","0.0601","","","0.0678","0.0831","","","","","","1.009","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230510","6.6823","0.0013","22.875","0.005","17.016","0.003","90","","99.25","0.03","90","","2567.2","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Li4 O24 S2 -","- C14 H28 Li4 O24 S2 -","- C56 H112 Li16 O96 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1017","0.0658","","","0.1543","0.183","","","","","","1.089","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230511","7.654","0.0015","7.9908","0.0016","11.596","0.002","100.74","0.03","92.23","0.03","117.66","0.03","610.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Li2 O11 S -","- C7 H12 Li2 O11 S -","- C14 H24 Li4 O22 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1129","0.0565","","","0.1157","0.1858","","","","","","1.077","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230512","6.7398","0.0013","8.9279","0.0018","11.803","0.002","94.93","0.03","96.12","0.03","106.26","0.03","672.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0601","0.0542","","","0.1483","0.1587","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230514","6.416","0.014","3.922","0.009","31.56","0.06","90","","90.01","0.03","90","","794","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1572","0.1008","","","0.2796","0.3288","","","","","","1.026","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230515","6.394","0.004","3.753","0.002","31.224","0.017","90","","90.01","0.03","90","","749.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.53 F1.47 O2 -","- C9 H6.53 F1.47 O2 -","- C36 H26.12 F5.88 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.139","0.1064","","","0.3002","0.3471","","","","","","1.04","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230516","6.326","0.004","3.7474","0.0014","32.081","0.017","90","","91.7","0.03","90","","760.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.54 O2 -","- C9 H6.459 F1.541 O2 -","- C36 H25.836 F6.164 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1508","0.1031","","","0.2628","0.3089","","","","","","1.009","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230517","3.7371","0.0002","6.3196","0.0003","32.5261","0.0014","90","","92.317","0.002","90","","767.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.39 F1.62 O2 -","- C9 H6.385 F1.615 O2 -","- C36 H25.54 F6.46 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0831","0.0681","","","0.1698","0.1765","","","","","","1.092","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230518","3.7435","0.0001","6.3336","0.0002","32.481","0.0009","90","","92.31","0.001","90","","769.49","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.44 F1.56 O2 -","- C9 H6.437 F1.563 O2 -","- C36 H25.748 F6.252 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0595","0.0481","","","0.1181","0.1247","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230519","3.738","0.005","6.608","0.009","31.18","0.04","90","","90.847","0.016","90","","770.1","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.29 F1.71 O2 -","- C9 H6.294 F1.706 O2 -","- C36 H25.176 F6.824 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0793","0.0653","","","0.1634","0.1748","","","","","","1.053","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230520","3.7401","0.0011","6.5015","0.0018","32.588","0.009","90","","92.075","0.015","90","","791.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.1 F1.9 O2 -","- C9 H6.1 F1.9 O2 -","- C36 H24.4 F7.6 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1121","0.092","","","0.2456","0.2681","","","","","","1.007","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230521","3.7674","0.0011","6.5778","0.0019","31.345","0.009","90","","91.121","0.015","90","","776.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.24 F1.76 O2 -","- C9 H6.24 F1.76 O2 -","- C36 H24.96 F7.04 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0997","0.0807","","","0.235","0.2528","","","","","","1.096","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230522","3.886","0.01","6.464","0.016","31.73","0.08","90","","92.54","0.03","90","","796","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.126","0.0901","","","0.2832","0.3283","","","","","","1.055","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230523","3.789","0.004","6.337","0.006","15.846","0.016","84.53","0.02","85.15","0.019","87.11","0.03","377","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0702","0.0647","","","0.1767","0.1834","","","","","","0.999","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230524","3.807","0.008","6.296","0.013","15.98","0.03","84.74","0.04","84.44","0.04","86.65","0.05","379.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H6.995 F1.005 O2 -","- C18 H13.99 F2.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0862","0.0611","","","0.1579","0.1827","","","","","","0.912","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230525","3.7384","0.0013","6.621","0.003","31.171","0.01","90","","90.852","0.019","90","","771.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.47 F1.54 O2 -","- C9 H6.465 F1.535 O2 -","- C36 H25.86 F6.14 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0728","0.0591","","","0.149","0.1592","","","","","","0.983","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230526","6.322","0.003","3.7467","0.0016","32.162","0.013","90","","91.57","0.02","90","","761.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.43 F1.57 O2 -","- C9 H6.432 F1.568 O2 -","- C36 H25.728 F6.272 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1457","0.1032","","","0.2698","0.3042","","","","","","1.068","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230527","3.768","0.016","6.37","0.03","32.12","0.13","90","","92.13","0.06","90","","770","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.362 F1.638 O2 -","- C36 H25.448 F6.552 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1661","0.1131","","","0.305","0.3644","","","","","","1.076","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230528","3.749","0.008","6.347","0.014","32.46","0.07","90","","92.23","0.03","90","","772","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.3 F1.7 O2 -","- C9 H6.297 F1.703 O2 -","- C36 H25.188 F6.812 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.114","0.0897","","","0.25","0.2822","","","","","","1.043","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230529","3.756","0.009","6.293","0.016","16.06","0.04","86.11","0.04","85.37","0.06","87.17","0.05","377.1","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.491 F1.509 O2 -","- C18 H12.982 F3.018 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1225","0.0803","","","0.2028","0.2487","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230530","3.783","0.006","6.316","0.01","16.16","0.03","86.25","0.02","85.69","0.04","87.28","0.03","383.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.5 F1.51 O2 -","- C9 H6.495 F1.505 O2 -","- C18 H12.99 F3.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.09","0.0622","","","0.1487","0.1701","","","","","","1.036","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230531","3.742","0.0013","6.613","0.003","31.174","0.015","90","","90.79","0.02","90","","771.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.55 F1.45 O2 -","- C9 H6.546 F1.454 O2 -","- C36 H26.184 F5.816 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0948","0.0784","","","0.1968","0.2128","","","","","","0.998","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230532","3.8093","0.0005","6.5708","0.0009","31.453","0.004","90","","90.551","0.004","90","","787.24","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1455","0.0981","","","0.2675","0.3211","","","","","","0.974","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230533","6.307","0.012","3.778","0.007","31.68","0.05","90","","91.02","0.04","90","","755","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1214","0.0795","","","0.1825","0.2027","","","","","","0.814","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230534","3.7681","0.0016","6.618","0.003","31.762","0.015","90","","95.72","0.03","90","","788.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.76 F1.24 O2 -","- C9 H6.762 F1.238 O2 -","- C36 H27.048 F4.952 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1249","0.0932","","","0.2133","0.2395","","","","","","1.131","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230535","3.735","0.004","6.614","0.008","31.11","0.03","90","","90.93","0.02","90","","768.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.31 F1.69 O2 -","- C9 H6.308 F1.692 O2 -","- C36 H25.232 F6.768 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0959","0.0781","","","0.1698","0.1836","","","","","","0.969","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230536","3.8154","0.0004","6.3634","0.0006","32.845","0.003","90","","91.146","0.003","90","","797.28","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0754","0.0605","","","0.1473","0.1592","","","","","","1.075","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230537","3.7189","0.0003","6.4694","0.0006","32.965","0.003","90","","92.198","0.004","90","","792.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0526","0.0473","","","0.1252","0.1297","","","","","","1.031","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230538","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.487 F1.513 O2 -","- C36 H25.948 F6.052 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1023","0.0727","","","0.186","0.2147","","","","","","1.062","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230539","3.769","0.009","6.599","0.015","31.6","0.07","90","","91.27","0.03","90","","786","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.26 F1.74 O2 -","- C9 H6.264 F1.736 O2 -","- C36 H25.056 F6.944 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1139","0.0957","","","0.2303","0.2547","","","","","","0.958","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230540","6.348","0.011","3.765","0.007","32.16","0.06","90","","91.47","0.03","90","","768","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.55 O2 -","- C9 H6.455 F1.545 O2 -","- C36 H25.82 F6.18 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1389","0.1082","","","0.2826","0.3252","","","","","","1.057","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230541","21.287","0.003","21.287","0.003","6.9924","0.001","90","","90","","90","","3168.5","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H8 O27 P4 U4 -","- C12 H8 O27 P4 U4 -","- C48 H32 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0456","0.0399","","","0.0964","0.0988","","","","","","1.062","","","","has coordinates,has disorder","229104","2020-10-21","18:00:00",""
"7230542","21.114","0.006","21.114","0.006","6.941","0.002","90","","90","","90","","3094.3","1.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 O27 P4 U4 -","- C12 H16 O27 P4 U4 -","- C48 H64 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0405","0.0351","","","0.0776","0.0798","","","","","","1.057","","","","has coordinates","229104","2020-10-21","18:00:00",""
"7230543","29.3603","0.0005","29.3603","0.0005","20.4187","0.0004","90","","90","","120","","15243.3","0.5","296","2","296","2","","","","","","","","6","P 32","P 32","145","lamivudine duplex V","","","- C36 H48 F6 N12 O17 S4 -","- C36 H48 F6 N12 O17 S4 -","- C432 H576 F72 N144 O204 S48 -","12","4","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0922","0.0649","","","0.1625","0.1863","","","","","","1.025","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230544","6.2322","0.0007","13.2055","0.0015","17.424","0.002","90","","90","","90","","1434","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lamivudine perchlorate monohydrate","","","- C8 H14 Cl N3 O8 S -","- C8 H14 Cl N3 O8 S -","- C32 H56 Cl4 N12 O32 S4 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0721","0.0469","","","0.1052","0.1194","","","","","","1.032","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230545","6.756","0.002","10.726","0.003","23.809","0.008","90","","90","","90","","1725.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen sulfate","","","- C8 H13 N3 O7 S2 -","- C8 H13 N3 O7 S2 -","- C32 H52 N12 O28 S8 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.1028","0.0839","","","0.2231","0.2463","","","","","","1.042","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230546","6.7148","0.0014","17.982","0.006","19.374","0.005","90","","90","","90","","2339.3","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine sulfate","","","- C16 H24 N6 O10 S3 -","- C16 H24 N6 O10 S3 -","- C64 H96 N24 O40 S12 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0806","0.0488","","","0.0978","0.1141","","","","","","1.024","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230547","14.838","0.001","14.838","0.001","42.003","0.003","90","","90","","120","","8008.7","1","293","2","293","2","","","","","","","","6","P 61","P 61","169","lamivudine duplex VI","","","- C36 H48 Cl6 N12 O17 S4 -","- C36 H48 Cl6 N12 O17 S4 -","- C216 H288 Cl36 N72 O102 S24 -","6","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.2581","0.1421","","","0.3309","0.4163","","","","","","1.243","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230548","10.217","0.003","13.069","0.004","14.918","0.005","90","","95.342","0.007","90","","1983.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine propan-1-ol","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-\ thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-1-ol solvate","","- C20 H28 N4 O S -","- C20 H28 N4 O S -","- C80 H112 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Reutzel-Edens, Susan M.; Johnston, Blair F.; Florence, Alastair J.","A random forest model for predicting crystal packing of olanzapine solvates","CrystEngComm","2018","20","28","3947","","10.1039/C8CE00261D","","","0.71073","MoKα","","0.0927","0.0531","","","0.1229","0.1383","","","","","","0.928","","","","has coordinates","228883","2020-10-21","18:00:00",""
"7230559","15.582","0.003","19.365","0.002","22.631","0.004","91.544","0.007","92.106","0.015","93.021","0.013","6811.9","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H127 F9 O52 Ti13 -","- C105 H117 F9 O52 Ti13 -","- C210 H234 F18 O104 Ti26 -","2","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","0.71073","MoKα","","0.1636","0.0925","","","0.2263","0.2754","","","","","","1.036","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230560","30.9695","0.0005","17.8839","0.0003","26.09","0.0004","90","","108.239","0.002","90","","13724.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C113 H260 O55 Ti14 -","- C113 H168 O55 Ti14 -","- C452 H672 O220 Ti56 -","4","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","1.54178","CuKα","","0.1027","0.0851","","","0.228","0.2498","","","","","","1.061","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230563","7.3454","0.0013","6.2161","0.001","10.797","0.0018","90","","108.144","0.015","90","","468.48","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0895","0.0673","","","0.184","0.1977","","","","","","1.001","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230564","10.3679","0.001","6.4569","0.0007","18.3125","0.0015","90","","98.023","0.007","90","","1213.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30.52 N6 Ni O7.26 -","- C20 H30.5252 N6 Ni O7.262 -","- C40 H61.0504 N12 Ni2 O14.524 -","2","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0751","0.052","","","0.1396","0.1533","","","","","","1.078","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230565","6.7306","0.0012","8.9921","0.0013","10.4338","0.0015","95.898","0.012","91.502","0.013","99.545","0.014","618.84","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.66 N7.23 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","1","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0653","0.0559","","","0.1394","0.1507","","","","","","1.114","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230566","5.72409","0.00005","7.91013","0.00008","5.45235","0.00006","90","","90","","90","","246.873","0.004","302","2","302","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy O6 Sc2 Tb -","- Dy O6 Sc2 Tb -","- Dy2 O12 Sc4 Tb2 -","2","0.25","","Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D.","Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals","CrystEngComm","2018","20","20","2868","","10.1039/C8CE00335A","","","0.71073","MoKα","","0.0182","0.0167","","","0.0393","0.0397","","","","","","1.373","","","","has coordinates","229042","2020-10-21","18:00:00",""
"7230567","9.643","0.002","9.643","0.002","32.282","0.008","90","","90","","120","","2599.7","1","293","2","293","2","","","","","","","","6","P 65","P 65","170","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C102 H78 Br12 N6 O12 S6 -","6","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.107","0.1174","","","","","","1.036","","","","has coordinates,has disorder","229109","2020-10-21","18:00:00",""
"7230568","9.071","0.003","8.725","0.003","11.441","0.004","90","","112.448","0.004","90","","836.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C34 H26 Br4 N2 O4 S2 -","2","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.0531","0.0455","","","0.1178","0.1224","","","","","","1.075","","","","has coordinates","229109","2020-10-21","18:00:00",""
"7230572","15.9888","0.0003","10.0556","0.0002","23.151","0.0006","90","","98.775","0.002","90","","3678.58","0.14","130","2","129.6","0.8","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H36 Cd N6 O7 -","- C30 H36 Cd N6 O7 -","- C120 H144 Cd4 N24 O28 -","4","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0734","0.059","","","0.1426","0.152","","","","","","1.089","","","","has coordinates,has disorder","229043","2020-10-21","18:00:00",""
"7230573","10.215","0.0002","11.9013","0.0002","12.6419","0.0002","80.608","0.001","84.697","0.001","80.66","0.001","1492.76","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cd N5 O9 -","- C27 H33 Cd N5 O9 -","- C54 H66 Cd2 N10 O18 -","2","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","","0.71073","MoKα","","0.027","0.0264","","","0.0695","0.0699","","","","","","1.075","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230574","9.3264","0.0002","10.388","0.0002","12.3659","0.0002","104.506","0.002","94.778","0.002","102.756","0.002","1118.97","0.04","130","2","130.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","1","0.5","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0425","0.0346","","","0.084","0.0894","","","","","","1.094","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230579","39.2679","0.0014","39.2679","0.0014","16.5666","0.0007","90","","90","","120","","22122.8","1.5","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","NU1000","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Islamoglu, Timur; Otake, Ken-ichi; Li, Peng; Buru, Cassandra T.; Peters, Aaron W.; Akpinar, Isil; Garibay, Sergio J.; Farha, Omar K.","Revisiting the structural homogeneity of NU-1000, a Zr-based metal‒organic framework","CrystEngComm","2018","20","39","5913","","10.1039/C8CE00455B","","","1.54178","CuKα","","0.0722","0.0616","","","0.1614","0.1715","","","","","","1.033","","","","has coordinates","228980","2020-10-21","18:00:00",""
"7230584","8.151","0.007","14.06","0.012","16.644","0.013","97.54","0.03","93.66","0.03","102.91","0.03","1835","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C82 H76 B2 Br2 N4 S2 -","2","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1066","0.0511","","","0.1092","0.1298","","","","","","1.018","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230585","10.5728","0.0002","13.7128","0.0003","13.8757","0.0003","90","","108.542","0.001","90","","1907.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 S -","- C23 H17 Br N2 S -","- C92 H68 Br4 N8 S4 -","4","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.0913","0.0505","","","0.1025","0.1335","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230586","9.6323","0.0007","13.5037","0.0011","52.648","0.004","90","","93.701","0.002","90","","6833.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C328 H304 B8 Br8 N16 S8 -","8","2","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1186","0.0774","","","0.1302","0.1415","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230587","11.4729","0.0005","14.603","0.0003","14.7655","0.0005","90","","91.92","0.003","90","","2472.4","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-hydroxybenzoic acid 4-hydroxybenzoate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.6889","synchrotron","","0.0697","0.0436","","","0.0968","0.1093","","","","","","1.04","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230588","21.6378","0.0004","9.1765","0.0001","18.3236","0.0003","90","","112.447","0.002","90","","3362.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-cyanobenzoate 4-cyanobenzoic acid","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0487","0.0418","","","0.1117","0.1186","","","","","","1.019","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230589","9.8631","0.0004","21.3774","0.0009","12.5572","0.0005","90","","110.968","0.002","90","","2472.33","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-aminobenzoic acid 3-aminobenzoate","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C112 H128 N16 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0609","0.0445","","","0.1114","0.1215","","","","","","1.032","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230590","7.4488","0.0003","16.1665","0.0007","16.8622","0.0008","90","","99.229","0.002","90","","2004.28","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 5-nitro-3-benzoate benzoic acid","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C88 H92 N12 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0636","0.0455","","","0.1134","0.1232","","","","","","1.024","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230591","10.332","0.0004","18.3951","0.0007","10.3744","0.0004","90","","103.652","0.002","90","","1916.03","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAN 2-nitrobenzoate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0713","0.0481","","","0.1147","0.1266","","","","","","1.026","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230592","13.3902","0.0006","17.4977","0.0007","19.3081","0.0009","85.639","0.004","70.634","0.004","69.986","0.004","4006.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","DMAN 4-amino benzoic acid 4-aminobenzoate hydrate","","- C84 H104 N12 O16 -","- C84 H104 N12 O16 -","- C168 H208 N24 O32 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.71073","MoKα","","0.1953","0.0793","","","0.159","0.2161","","","","","","0.984","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230593","11.2829","0.0004","12.5029","0.0005","23.4257","0.001","90","","90.718","0.002","90","","3304.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 2-cyanobenzoic acid 2-cyanobenzoate","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0942","0.0474","","","0.0952","0.112","","","","","","1.006","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230594","14.6269","0.0004","18.1672","0.0005","20.9527","0.0006","93.416","0.002","104.461","0.003","107.5","0.003","5086.9","0.3","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","DMAN 4-nitrobenzoic acid 4-nitrobenzoate","","- C35 H33 N5 O12 -","- C35 H33 N5 O12 -","- C210 H198 N30 O72 -","6","3","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0524","0.0396","","","0.0997","0.1083","","","","","","1.021","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230595","9.8917","0.0004","23.8954","0.0009","12.0958","0.0005","90","","112.04","0.002","90","","2650.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-methoxy benzoic acid 3-methoxybenzoate","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0803","0.045","","","0.09","0.1022","","","","","","1.025","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230603","4.5576","0.0001","16.2048","0.0004","14.0456","0.0003","90","","95.241","0.002","90","","1033","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Dy N O7 -","- C8 H8 Dy N O7 -","- C32 H32 Dy4 N4 O28 -","4","1","","Yu, Qi; Dong, Hong; Zhang, Xin; Zhu, Ya-Xin; Wang, Jian-Hui; Zhang, Feng-Ming; Sun, Xiao-Jun","Novel stable metal‒organic framework photocatalyst for light-driven hydrogen production","CrystEngComm","2018","20","23","3228","","10.1039/C8CE00386F","","","0.71073","MoKα","","0.0276","0.0214","","","0.0447","0.0467","","","","","","1.035","","","","has coordinates","229102","2020-10-21","18:00:00",""
"7230604","14.3715","0.0011","14.3715","0.0011","19.721","0.002","90","","90","","90","","4073.2","0.6","296","2","296","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C10 H6 N20 O2 Zn3 -","- C10 H6 N20 O2 Zn3 -","- C80 H48 N160 O16 Zn24 -","8","0.5","","Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","Synthesis of an ultra-stable metal‒organic framework for proton conduction","CrystEngComm","2018","20","23","3158","","10.1039/C8CE00564H","","","0.71073","MoKα","","0.0465","0.0307","","","0.0772","0.0862","","","","","","0.908","","","","has coordinates","229108","2020-10-21","18:00:00",""
"7230605","4.8211","0.0014","9.065","0.003","12.47","0.004","74.963","0.006","88.26","0.006","89.779","0.006","526.1","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","1","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1169","0.0863","","","0.1747","0.1891","","","","","","1.199","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230606","7.646","0.002","12.279","0.004","11.421","0.004","90","","90.411","0.006","90","","1072.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O8 -","- C22 H20 N6 O8 -","- C44 H40 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1136","0.0983","","","0.1818","0.1882","","","","","","1.342","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230607","6.573","0.003","7.531","0.004","17.511","0.008","87.416","0.009","88.657","0.009","75.143","0.009","836.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1547","0.0644","","","0.1229","0.1507","","","","","","0.917","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230608","12.528","0.009","6.992","0.005","13.266","0.008","90","","113.8","0.02","90","","1063.2","1.3","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1146","0.1197","","","","","","1.042","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230609","29.689","0.007","44.694","0.011","4.888","0.0012","90","","90","","90","","6486","3","298","2","298","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C272 H256 N64 O64 -","16","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0603","0.0557","","","0.1169","0.119","","","","","","1.2","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230610","6.988","0.004","17.855","0.01","11.428","0.006","90","","103.035","0.011","90","","1389.1","1.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O7 -","- C10 H16 N4 O7 -","- C40 H64 N16 O28 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1174","0.0537","","","0.1168","0.1409","","","","","","0.955","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230611","7.0875","0.0008","11.9657","0.0013","24.919","0.003","90","","90","","90","","2113.3","0.4","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0819","0.0809","","","0.1523","0.1528","","","","","","1.358","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230612","34.001","0.005","8.9797","0.0014","8.97","0.0014","90","","90","","90","","2738.7","0.7","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N6 O10 -","- C23 H26 N6 O10 -","- C92 H104 N24 O40 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1143","0.0902","","","0.2626","0.2823","","","","","","1.07","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230613","8.705","0.002","10.392","0.003","10.914","0.003","65.633","0.004","76.026","0.005","70.452","0.004","841.3","0.4","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C30 H28 N12 O16 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1454","0.0795","","","0.1479","0.1734","","","","","","1.075","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230614","12.194","0.002","5.1402","0.001","17.488","0.003","90","","99.377","0.003","90","","1081.5","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C40 H40 N16 O16 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1667","0.0806","","","0.153","0.1825","","","","","","1.01","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230615","10.3869","0.0003","15.4759","0.0003","11.2824","0.0003","90","","105.723","0.003","90","","1745.75","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O2 S -","- C18 H24 Cl N O2 S -","- C72 H96 Cl4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0498","0.037","","","0.0845","0.0912","","","","","","1.044","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230616","11.0548","0.0008","6.4659","0.0004","21.654","0.0014","90","","102.382","0.002","90","","1511.81","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O2 S -","- C16 H20 Br N O2 S -","- C64 H80 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0599","0.0368","","","0.0869","0.0968","","","","","","0.994","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230617","10.7288","0.0004","15.5406","0.0006","11.6218","0.0005","90","","106.454","0.001","90","","1858.37","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0576","0.0473","","","0.1349","0.1436","","","","","","1.124","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230618","10.5834","0.0003","15.2084","0.0005","11.6137","0.0003","90","","107.101","0.001","90","","1786.66","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0484","0.0394","","","0.1085","0.115","","","","","","1.018","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230619","29.081","0.002","6.8576","0.0006","19.1376","0.0016","90","","123.701","0.002","90","","3175.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C136 H160 F24 N8 O16 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0852","0.0687","","","0.1774","0.1875","","","","","","1.277","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230620","10.5014","0.0003","15.4718","0.0004","11.3326","0.0003","90","","106.42","0.003","90","","1766.17","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br N O2 S -","- C18 H24 Br N O2 S -","- C72 H96 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0619","0.0366","","","0.0781","0.0876","","","","","","0.998","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230621","11.0672","0.0008","6.4621","0.0005","21.5494","0.0016","90","","103.132","0.002","90","","1500.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.063","0.0437","","","0.0984","0.1071","","","","","","1","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230622","9.8939","0.0014","18.898","0.003","16.637","0.002","90","","96.438","0.004","90","","3091.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0616","0.0465","","","0.1243","0.1391","","","","","","1.03","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230623","18.4213","0.0008","18.1732","0.0008","19.0497","0.0008","90","","90","","90","","6377.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C200 H192 F96 Mn8 N24 O40 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1044","0.074","","","0.2124","0.2461","","","","","","1.036","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230624","9.8814","0.0007","14.4685","0.0011","23.2516","0.0017","90","","100.481","0.002","90","","3268.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C100 H96 F48 Mn4 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0792","0.0618","","","0.1801","0.196","","","","","","1.052","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230625","16.6043","0.0006","26.0628","0.0011","10.8332","0.0005","90","","90","","90","","4688.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H46 F12 Mn N6 O6 -","- C40 H46 F12 Mn N6 O6 -","- C160 H184 F48 Mn4 N24 O24 -","4","0.5","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1058","0.0876","","","0.2445","0.265","","","","","","1.061","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230626","16.3979","0.0007","25.7808","0.0011","10.7851","0.0004","90","","90","","90","","4559.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cu0.5 F6 N3 O3 -","- C20 H23 Cu0.5 F6 N3 O3 -","- C160 H184 Cu4 F48 N24 O24 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1091","0.0965","","","0.2659","0.2823","","","","","","1.034","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230627","9.5751","0.0004","32.409","0.0013","10.9213","0.0005","90","","106.865","0.0013","90","","3243.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0809","0.0527","","","0.1293","0.1416","","","","","","1.044","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230630","6.5213","0.0002","5.3508","0.0001","8.8186","0.0002","90","","106.896","0.001","90","","294.435","0.013","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 F4 O2 -","- C6 F4 O2 -","- C12 F8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0434","0.0283","","","0.0634","0.069","","","","","","1.273","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230631","8.5371","0.0007","5.6623","0.0004","8.6712","0.0007","90","","105.946","0.004","90","","403.03","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C12 Cl8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0382","0.034","","","0.0891","0.0919","","","","","","1.057","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230640","12.8955","0.0003","19.5738","0.0005","13.0841","0.0003","90","","101.983","0.0011","90","","3230.64","0.13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N O2 -","- C44 H35 N O2 -","- C176 H140 N4 O8 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0443","0.04","","","0.0988","0.1023","","","","","","1.026","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230641","29.189","0.0006","29.189","0.0006","23.3065","0.0005","90","","90","","120","","17196.7","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47.4 H45 N O2.6 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0856","0.0536","","","0.1349","0.1569","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230642","29.3589","0.0006","29.3589","0.0006","23.3712","0.0005","90","","90","","120","","17445.8","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47 H44 N O2.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0495","0.041","","","0.1049","0.1116","","","","","","1.057","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230643","29.1831","0.0006","29.1831","0.0006","23.3144","0.0005","90","","90","","120","","17195.6","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C43 H34 N O1.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0566","0.0487","","","0.136","0.1465","","","","","","1.052","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230644","29.2539","0.0011","29.2539","0.0011","23.3293","0.0009","90","","90","","120","","17290.2","1.1","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H40.2 N O3.8 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0518","0.0397","","","0.106","0.1164","","","","","","1.037","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230645","17.319","0.0005","19.9637","0.0007","21.9686","0.0008","100.294","0.0018","91.2541","0.0016","115.382","0.0015","6710.4","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.62 H32.12 Cl1.88 N O2.25 -","- C41.625 H32.125 Cl1.875 N O2.25 -","- C333 H257 Cl15 N8 O18 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0944","0.0725","","","0.1867","0.2039","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230646","25.6756","0.0007","19.1467","0.0005","16.3667","0.0004","90","","107.328","0.002","90","","7680.8","0.4","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 N O5 -","- C49 H45 N O5 -","- C392 H360 N8 O40 -","8","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0728","0.0466","","","0.1067","0.1217","","","","","","1.031","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230647","16.9431","0.0004","20.0249","0.0004","23.9395","0.0005","101.674","0.002","105.876","0.002","118.124","0.005","6342.9","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H33 N O3 -","- C41 H29 N O3 -","- C328 H232 N8 O24 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.1706","0.0864","","","0.1968","0.242","","","","","","1.023","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230648","12.5928","0.0004","18.407","0.0006","15.0348","0.0005","90","","91.3592","0.0014","90","","3484","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Cl N O -","- C47 H34 Cl N O -","- C188 H136 Cl4 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0482","0.0424","","","0.1044","0.1094","","","","","","1.054","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230649","12.3371","0.0004","11.2929","0.0004","24.658","0.0007","90","","102.265","0.002","90","","3356.98","0.19","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N O4 -","- C44 H38 N O4 -","- C176 H152 N4 O16 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0662","0.0479","","","0.1116","0.1227","","","","","","1.037","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230650","29.2009","0.0005","29.2009","0.0005","23.3366","0.0004","90","","90","","120","","17233","0.5","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H43 N O2.4 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0569","0.0398","","","0.1036","0.1154","","","","","","1.036","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230651","12.3591","0.0003","18.2217","0.0005","15.0443","0.0004","90","","91.6057","0.0011","90","","3386.7","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 N O2 -","- C41 H29 N O -","- C164 H116 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0418","0.0387","","","0.1108","0.1139","","","","","","1.079","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230653","13.501","0.003","11.13","0.002","34.928","0.007","90","","90","","90","","5248.5","1.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H34 Cd3 N3 O23 P3 -","- C42 H34 Cd3 N3 O23 P3 -","- C168 H136 Cd12 N12 O92 P12 -","4","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","0.71073","MoKα","","0.0779","0.0723","","","0.1917","0.197","","","","","","1.042","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230654","12.9528","0.0007","13.5426","0.0007","16.4426","0.0008","108.031","0.004","91.067","0.004","113.829","0.005","2474.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd2 N27 O9 P3 -","- C42 H32 Cd2 N27 O9 P3 -","- C84 H64 Cd4 N54 O18 P6 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","1.54178","CuKα","","0.0654","0.0596","","","0.1683","0.176","","","","","","1.055","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230655","14.0264","0.0004","14.5761","0.0004","23.3971","0.0007","77.744","0.003","80.417","0.002","89.739","0.002","4606.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H64 Cd4 N6 O44 P6 -","- C84 H64 Cd4 N6 O44 P6 -","- C168 H128 Cd8 N12 O88 P12 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","x-ray","0.71073","MoKα","","0.0661","0.0447","","","0.1016","0.1176","","","","","","1.086","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230658","13.743","0.003","14.342","0.003","19.671","0.004","83.758","0.004","74.388","0.003","80.079","0.004","3670.4","1.3","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 Eu2 N5 O23 S6 -","- C50 H62 Eu2 N4 O16 S6 -","- C100 H124 Eu4 N8 O32 S12 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0709","0.044","","","0.1084","0.1197","","","","","","0.935","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230659","13.771","0.003","14.495","0.003","19.74","0.004","84.67","0.03","73.52","0.03","81.47","0.03","3731.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 N5 O23 S6 Tb2 -","- C50 H60 N4 O16 S6 Tb2 -","- C100 H120 N8 O32 S12 Tb4 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0461","0.0328","","","0.0872","0.0955","","","","","","1.026","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230660","5.6272","0.0017","8.095","0.003","9.638","0.003","90","","106.656","0.004","90","","420.6","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1044","0.0925","","","0.2301","0.246","","","","","","1.103","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230661","5.6186","0.0011","8.0802","0.0016","9.6186","0.0018","90","","106.636","0.002","90","","418.4","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1098","0.0986","","","0.2177","0.2316","","","","","","1.101","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230663","5.7993","0.0005","25.037","0.003","10.15","0.0011","90","","100.329","0.011","90","","1449.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane","","- C15 H20 F N O4 -","- C15 H20 F N O4 -","- C60 H80 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0471","0.0375","","","0.0971","0.1053","","","","","","1.019","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230664","12.617","0.001","6.6369","0.0005","19.145","0.0017","90","","90","","90","","1603.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0605","0.0419","","","0.1096","0.1275","","","","","","0.806","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230665","12.4037","0.001","14.553","0.0017","9.9903","0.0008","90","","103.023","0.008","90","","1757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1237","0.0766","","","0.1906","0.2253","","","","","","1.144","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230666","20.1905","0.0016","6.6712","0.0004","12.9057","0.0009","90","","106.432","0.008","90","","1667.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1267","0.0971","","","0.242","0.264","","","","","","1.036","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230667","12.8989","0.0017","5.8609","0.0005","13.5007","0.0019","90","","116.417","0.017","90","","914.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 F N O4 -","- C18 H26 F N O4 -","- C36 H52 F2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0923","0.0653","","","0.1773","0.2054","","","","","","1.163","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230668","12.146","0.002","6.0004","0.0007","14.022","0.003","90","","112.03","0.02","90","","947.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1288","0.0675","","","0.1746","0.2241","","","","","","1.052","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230669","12.4485","0.0006","10.2927","0.0006","21.8055","0.001","90","","90","","90","","2793.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane","","- C14 H18 F N O4 -","- C14 H18 F N O4 -","- C112 H144 F8 N8 O32 -","8","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.2066","0.0939","","","0.2198","0.2702","","","","","","1.175","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230670","11.5582","0.0008","6.0006","0.0003","27.226","0.002","90","","101.111","0.007","90","","1852.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","2","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0914","0.0583","","","0.1374","0.1581","","","","","","1.047","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230671","5.6457","0.0005","26.456","0.004","10.456","0.001","90","","100.112","0.008","90","","1537.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F N O4 -","- C16 H22 F N O4 -","- C64 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0894","0.0483","","","0.1251","0.1563","","","","","","0.865","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230672","11.6303","0.0012","17.6259","0.0018","14.8517","0.0015","90","","91.363","0.002","90","","3043.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Eu N2 O13 P -","- C23 H18 Eu N2 O13 P -","- C92 H72 Eu4 N8 O52 P4 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","","0.71073","MoKα","","0.0467","0.032","","","0.0791","0.0921","","","","","","1.068","","","","has coordinates,has disorder","229103","2020-10-21","18:00:00",""
"7230673","12.735","0.003","6.5866","0.0009","18.883","0.003","90","","90","","90","","1583.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane]","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0645","0.049","","","0.1276","0.1483","","","","","","0.945","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230674","8.4809","0.0003","12.392","0.0006","12.8512","0.0006","92.174","0.004","99.176","0.004","103.153","0.004","1294.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cd Cl2 N3 O4 -","- C23 H23 Cd Cl2 N3 O4 -","- C46 H46 Cd2 Cl4 N6 O8 -","2","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0626","0.0549","","","0.1485","0.1607","","","","","","1.098","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230675","9.4764","0.0002","18.9403","0.0002","22.154","0.0003","90","","91.056","0.002","90","","3975.65","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H84 Cd Cl2 N8 O18 -","- C80 H64 Cd Cl2 N8 O18 -","- C160 H128 Cd2 Cl4 N16 O36 -","2","0.5","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0741","0.0664","","","0.1929","0.2026","","","","","","1.046","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230676","29.9946","0.0012","12.7727","0.0009","13.3844","0.0006","90","","98.122","0.004","90","","5076.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cd Cl2 N2 O7 -","- C20 H16 Cd Cl2 N2 O7 -","- C160 H128 Cd8 Cl16 N16 O56 -","8","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","0.71073","MoKα","","0.0712","0.0485","","","0.1387","0.1609","","","","","","1.043","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230677","13.8355","0.0003","15.0442","0.0003","15.9034","0.0003","90","","90","","90","","3310.2","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C136 H136 I8 N32 O8 -","8","2","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.031","0.0251","","","0.056","0.0578","","","","","","1.054","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230678","19.036","0.009","6.927","0.003","25.712","0.012","90","","103.09","0.009","90","","3302","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.0851","0.0564","","","0.1736","0.1934","","","","","","1.07","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230679","13.296","0.003","7.722","0.0002","17.136","0.002","90","","106.02","0.03","90","","1691.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C68 H68 I4 N16 O4 -","4","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.048","0.0337","","","0.0882","0.0958","","","","","","1.028","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230680","10.049","0.002","13.677","0.003","25.211","0.005","97.626","0.003","94.832","0.003","110.108","0.003","3193.5","1.1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1195","0.099","","","0.2637","0.2817","","","","","","1.049","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230681","19.1038","0.0013","6.8983","0.0006","25.726","0.002","90","","102.622","0.005","90","","3308.3","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1413","0.0861","","","0.2606","0.2913","","","","","","1.123","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230682","10.119","0.004","13.63","0.006","25.37","0.009","97.424","0.01","95.257","0.01","109.834","0.01","3229","2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1191","0.0778","","","0.1969","0.2229","","","","","","1.03","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230683","18.928","0.005","6.9102","0.0017","25.591","0.007","90","","103.145","0.006","90","","3259.5","1.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.085","0.0552","","","0.1635","0.1793","","","","","","1.078","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230684","6.3497","0.0003","8.0041","0.0004","11.1477","0.0004","71.782","0.004","85.993","0.004","83.431","0.004","534.28","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","","0.7107","MoKα","","0.0438","0.0341","","","0.0747","0.0796","","","","","","1.055","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230685","6.636","0.0003","8.3292","0.0005","11.6684","0.0006","107.729","0.005","97.995","0.004","97.962","0.004","597.05","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cu N3 O5 S -","- C10 H9 Cu N3 O5 S -","- C20 H18 Cu2 N6 O10 S2 -","2","1","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0863","0.0889","","","","","","1.142","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230686","6.4091","0.0003","8.0567","0.0004","11.3265","0.0005","70.675","0.004","85.308","0.004","81.872","0.004","545.98","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0825","0.0839","","","","","","1.031","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230687","16.83","0.003","18.059","0.004","15.756","0.003","90","","98.82","0.03","90","","4732.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cd2 N6 O11 -","- C34 H18 Cd2 N6 O11 -","- C136 H72 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","0.71073","MoKα","","0.1771","0.091","","","0.1858","0.2218","","","","","","0.954","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230688","16.0536","0.0002","17.8754","0.0002","15.6953","0.0001","90","","102.731","0.001","90","","4393.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cd2 N6 O11 -","- C41 H26 Cd2 N6 O11 -","- C164 H104 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0313","0.0297","","","0.0838","0.0851","","","","","","0.91","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230689","17.1153","0.0001","18.127","0.0001","15.6893","0.0001","90","","94.978","0.001","90","","4849.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N6 O11 -","- C42 H28 Cd2 N6 O11 -","- C168 H112 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0308","0.0287","","","0.0633","0.0642","","","","","","1.011","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230694","17.346","0.002","12.1461","0.0009","5.2406","0.0006","90","","105.236","0.007","90","","1065.31","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba K Lu Mo3 O12 -","- Ba0.92 K1.08 Lu Mo3 O12 -","- Ba3.68 K4.32 Lu4 Mo12 O48 -","4","0.5","","Wang, G. Q.; Li, L. Y.; Feng, Y. N.; Yu, H.; Zheng, X. H.","Tb3± and Yb3±doped novel KBaLu(MoO4)3 crystals with disordered chained structure showing down- and up-conversion luminescence","CrystEngComm","2018","20","26","3657","","10.1039/C8CE00461G","","","0.71073","MoKα","","0.0224","0.0214","","","0.0553","0.0558","","","","","","1.102","","","","has coordinates","228990","2020-10-21","18:00:00",""
"7230695","13.2807","0.0005","13.2807","0.0005","14.1753","0.0006","90","","90","","120","","2165.23","0.15","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C18 Br18 Cd3 Mo18 N18 O12 Se6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0571","0.0506","","","0.1175","0.1212","","","","","","1.062","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230696","19.549","0.0008","10.3084","0.0004","13.7398","0.0005","90","","90","","90","","2768.83","0.19","150","2","150","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.68 Mn Mo6 N6 O2 S2 -","- C6 Br6.0006 Cs0.6742 Mn Mo6 N6 O2 S1.9994 -","- C24 Br24.0024 Cs2.6968 Mn4 Mo24 N24 O8 S7.9976 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0637","0.0383","","","0.1044","0.1123","","","","","","1.052","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230697","19.5758","0.0007","10.4102","0.0004","13.7808","0.0005","90","","90","","90","","2808.36","0.18","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Mn Mo6 N6 O2 -","- C6 Br8 Mn Mo6 N6 O2 -","- C24 Br32 Mn4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0559","0.0551","","","0.1274","0.1276","","","","","","1.367","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230698","19.473","0.004","10.3173","0.0017","13.749","0.003","90","","90","","90","","2762.3","0.9","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Fe Mo6 N6 O2 -","- C6 Br8 Fe Mo6 N6 O2 -","- C24 Br32 Fe4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","x-ray","0.71073","MoKα","","0.1789","0.1526","","","0.4307","0.4529","","","","","","1.116","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230699","13.2013","0.0006","13.2013","0.0006","14.1296","0.0006","90","","90","","120","","2132.52","0.16","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C18 Br18 Cd3 Mo18 N18 O12 S6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0885","0.0581","","","0.1273","0.1352","","","","","","1.072","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230700","19.6163","0.001","10.2909","0.0007","13.8615","0.0008","90","","90","","90","","2798.2","0.3","296","2","296","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2 -","- C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2 -","- C24 Br24 Cs3.2624 Mn4 Mo24 N24 O8 Se8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0498","0.03","","","0.0648","0.0702","","","","","","1.015","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230701","12.3495","0.0011","21.893","0.002","19.7759","0.0018","90","","103.632","0.002","90","","5196.1","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 As Co2 Mo8 N8 O40 V4 -","- C20 H16 As Co2 Mo8 N8 O40 V4 -","- C80 H64 As4 Co8 Mo32 N32 O160 V16 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0496","0.0408","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230702","10.733","0.004","13.361","0.004","21.952","0.007","89.302","0.006","79.585","0.006","75.901","0.005","3001.2","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.1114","0.0759","","","0.1891","0.2107","","","","","","1.041","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230703","20.7262","0.0006","14.6357","0.0006","25.6626","0.0009","90","","113.289","0.002","90","","7150.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C120 H120 As4 Cu20 Mo48 N80 O168 V8 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0639","0.0484","","","0.1351","0.1451","","","","","","1.05","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230704","18.0444","0.0006","11.4284","0.0005","17.241","0.0006","90","","90","","90","","3555.4","0.2","173.15","","173.15","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C31 H36 Br2 Cl2 N8 O4 -","- C31 H36 Br2 Cl2 N8 O4 -","- C124 H144 Br8 Cl8 N32 O16 -","4","0.5","","Naseer, Muhammad Moazzam; Bauzá, Antonio; Alnasr, Hazem; Jurkschat, Klaus; Frontera, Antonio","Lone pair‒π vs. σ-hole‒π interactions in bromine head-containing oxacalix[2]arene[2]triazines","CrystEngComm","2018","20","23","3251","","10.1039/C8CE00666K","","x-ray","0.71073","MoKα","","0.064","0.0425","","","0.1172","0.1283","","","","","","1.081","","","","has coordinates","229107","2020-10-21","18:00:00",""
"7230723","8.3611","0.0002","10.3462","0.0002","10.3808","0.0003","106.747","0.003","113.735","0.003","103.091","0.003","724.61","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C30 H24 I4 N4 -","2","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0181","0.0171","","","0.04","0.0403","","","","","","1.059","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230724","11.6765","0.0002","22.8696","0.0004","8.3636","0.0001","90","","110.549","0.002","90","","2091.28","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.4 H12.8 Cl0.8 I2 N2 -","- C19.4 H12 Cl0.8 I2 N2 -","- C77.6 H48 Cl3.2 I8 N8 -","4","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","1.5418","CuKα","","0.0419","0.0386","","","0.112","0.1151","","","","","","0.976","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230725","17.8602","0.0006","17.9174","0.0006","11.0199","0.0004","90","","90","","90","","3526.5","0.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H14 Cl2 I2 N2 -","- C16 H14 Cl2 I2 N2 -","- C128 H112 Cl16 I16 N16 -","8","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.71073","MoKα","","0.0652","0.0646","","","0.1603","0.1611","","","","","","1.763","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230726","7.7955","0.0005","36.484","0.007","10.5534","0.0011","90","","105.088","0.007","90","","2898","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C120 H96 I16 N16 -","8","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0521","0.0387","","","0.072","0.0744","","","","","","1.151","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230727","11.314","0.006","15.217","0.009","17.158","0.01","106.412","0.007","98.879","0.006","105.061","0.006","2652","3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C90 H100 Cl6 N18 O38 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0915","0.0672","","","0.1679","0.182","","","","","","1.027","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230728","11.3806","0.001","11.4717","0.001","11.9184","0.001","105.855","0.001","108.975","0.001","101.196","0.001","1345.2","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O9 Zn1.5 -","- C24 H24 Cl N4 O9 Zn1.5 -","- C48 H48 Cl2 N8 O18 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0631","0.0595","","","0.1381","0.1408","","","","","","1.036","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230729","28.576","0.002","28.576","0.002","17.986","0.001","90","","90","","90","","14687.1","1.7","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H28 Cu F6 N4 O9 S2 -","- C26 H16 Cu F6 N4 O9 S2 -","- C416 H256 Cu16 F96 N64 O144 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.0765","0.0716","","","0.2183","0.2233","","","","","","1.118","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230730","28.28","0.007","28.28","","19.059","0.005","90","","90","","90","","15243","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1937","0.1712","","","0.5198","0.5337","","","","","","2.194","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230731","17.338","0.001","42.746","0.002","43.404","0.002","90","","90","","90","","32168","3","150","2","150","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C780 H664 Cd32 Cl24 F192 N128 O208 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.0968","0.0846","","","0.2594","0.2721","","","","","","1.077","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230732","16.993","0.009","42.006","0.002","42.426","0.002","90","","90","","90","","30284","16","120","2","120","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C22 H16.75 F6 Fe N4 O6.375 S2 -","- C22 H16 F6 Fe N4 O6.376 S2 -","- C704 H512 F192 Fe32 N128 O204.032 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1178","0.1085","","","0.3232","0.3311","","","","","","1.472","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230733","28.481","0.004","28.481","","18.723","0.003","90","","90","","90","","15187","3","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1482","0.1237","","","0.3788","0.3948","","","","","","1.54","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230734","7.852","0.003","15.069","0.006","23.107","0.01","90","","90","","90","","2734.1","1.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 F6 Fe N4 O8 S2 -","- C22 H20 F6 Fe N4 O8 S2 -","- C88 H80 F24 Fe4 N16 O32 S8 -","4","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1032","0.0804","","","0.2179","0.2479","","","","","","1.034","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230735","9.5545","0.0019","16.926","0.003","7.8873","0.0016","90","","90.72","0.03","90","","1275.4","0.4","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cd F2 N12 O2 -","- C18 H28 Cd F2 N12 O2 -","- C36 H56 Cd2 F4 N24 O4 -","2","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0364","0.0248","","","0.0617","0.0661","","","","","","0.947","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230736","8.972","0.0013","8.972","0.0013","21.077","0.004","90","","90","","120","","1469.3","0.4","293","2","293.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C18 H32 Co F N13 O7 -","- C18 H31.9999 Co F N13 O7 -","- C36 H63.9998 Co2 F2 N26 O14 -","2","0.166667","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0542","0.0398","","","0.1113","0.12","","","","","","1.053","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230737","8.9","0.0018","21.14","0.004","15.03","0.003","90","","90","","90","","2827.8","1","293","2","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H34 F2 N12 Ni O5 -","- C18 H34 F2 N12 Ni O5 -","- C72 H136 F8 N48 Ni4 O20 -","4","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0418","0.0274","","","0.0775","0.0869","","","","","","1.036","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230749","28.4964","0.0013","8.1448","0.0003","15.5302","0.0007","90","","90","","90","","3604.5","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Sulfathiazoium besilate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate","","- C15 H15 N3 O5 S3 -","- C15 H15 N3 O5 S3 -","- C120 H120 N24 O40 S24 -","8","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.1032","0.0537","","","0.0998","0.122","","","","","","1.102","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230750","8.0557","0.0002","9.9422","0.0003","17.209","0.0005","90","","90.57","0.001","90","","1378.22","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sulfathiazoium tetrafluoroborate","","- C9 H10 B F4 N3 O2 S2 -","- C9 H10 B F4 N3 O2 S2 -","- C36 H40 B4 F16 N12 O8 S8 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0422","0.0369","","","0.0963","0.1008","","","","","","1.096","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230751","14.9484","0.0004","8.2585","0.0002","22.9621","0.0006","90","","100.818","0.001","90","","2784.33","0.12","173","2","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazoium hydrogen dinitrate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium nitrate nitric acid","","- C18 H21 N9 O13 S4 -","- C18 H21 N9 O13 S4 -","- C72 H84 N36 O52 S16 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0638","0.039","","","0.0897","0.1022","","","","","","1.026","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230752","17.4737","0.0009","11.624","0.0005","11.7557","0.0005","90","","90.072","0.002","90","","2387.75","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sulfathiazolium Sulfate Hydrate","","- C18 H22 N6 O9 S5 -","- C18 H20 N6 O9 S5 -","- C72 H80 N24 O36 S20 -","4","0.5","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0922","0.0504","","","0.0961","0.1134","","","","","","1.055","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230753","13.1054","0.0004","13.3838","0.0003","17.8464","0.0004","109.958","0.001","92.029","0.002","111.591","0.001","2689","0.12","173","2","173.2","","","","","","","","","5","P -1","-P 1","2","N-(2-methyl-4-oxopentan-2-yl)sulfathiazoium tosylate","N-(2-methyl-4-oxopentan-2-yl)-4-(N-(thiazol-2(3H)-ylidene)sulfamoyl)benzenaminium 4-methylbenzenesulfonate","","- C22 H27 N3 O6 S3 -","- C22 H27 N3 O6 S3 -","- C88 H108 N12 O24 S12 -","4","2","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0978","0.0496","","","0.11","0.1382","","","","","","1.028","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230754","12.931","0.003","27.071","0.005","13.699","0.003","90","","118.15","0.03","90","","4228","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H48 N14 O34 Zn5 -","- C72 H48 N14 O34 Zn5 -","- C144 H96 N28 O68 Zn10 -","2","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.1529","0.0661","","","0.1346","0.1619","","","","","","0.872","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230755","10.748","0.002","12.175","0.002","19.15","0.004","90","","97.74","0.03","90","","2483.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C104 H64 N24 O24 Zn4 -","4","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0424","0.0308","","","0.0795","0.0847","","","","","","1.035","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230756","22.968","0.005","9.911","0.002","21.552","0.004","90","","107.46","0.03","90","","4680","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C208 H128 N48 O48 Zn8 -","8","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0657","0.0388","","","0.1005","0.1132","","","","","","1.004","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230787","9.4626","0.001","12.2484","0.0014","12.7852","0.0013","84.367","0.009","71.2","0.009","74.329","0.01","1350.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1455","0.0772","","","0.1809","0.2272","","","","","","1.13","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230788","15.4695","0.0014","25.496","0.002","12.3469","0.0017","90","","94.928","0.01","90","","4851.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N8 O7 P -","- C43 H71 N8 O7 P -","- C172 H284 N32 O28 P4 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.201","0.0862","","","0.1711","0.233","","","","","","0.995","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230789","12.4753","0.0015","12.4982","0.0009","16.6285","0.0016","102.863","0.007","96.291","0.009","97.109","0.008","2482.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 N8 O2 S3 -","- C45 H72 N8 O2 S3 -","- C90 H144 N16 O4 S6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1529","0.0815","","","0.1752","0.2219","","","","","","0.966","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230790","10.343","0.0009","22.987","0.004","20.053","0.002","90","","100.231","0.01","90","","4691.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 Cl N8 S3 -","- C43 H69 Cl N8 S3 -","- C172 H276 Cl4 N32 S12 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.3175","0.0986","","","0.1306","0.2023","","","","","","0.998","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230791","30.643","0.004","13.4778","0.0016","23.218","0.003","90","","90","","90","","9589","2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87 H138 N16 O3 S6 -","- C87 H138 N16 O3 S6 -","- C348 H552 N64 O12 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.2414","0.0704","","","0.1383","0.1985","","","","","","0.933","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230792","25.9879","0.0008","9.8507","0.0003","26.893","0.0011","90","","90","","90","","6884.6","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C54 H65 N14 S6 -","- C54 H65 N14 S6 -","- C216 H260 N56 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.0951","0.0715","","","0.191","0.2072","","","","","","1.1","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230793","30.977","0.006","13.483","0.003","23.39","0.005","90","","90","","90","","9769","4","298","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H138 N16 O4 S7 -","- C86 H138 N16 O4 S7 -","- C344 H552 N64 O16 S28 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1776","0.0662","","","0.153","0.2066","","","","","","0.902","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230794","13.85","0.001","13.85","0.001","43.014","0.004","90","","90","","120","","7145.6","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H66 F N8 O6 -","- C42.9983 H66 F N8 O6 -","- C257.99 H396 F6 N48 O36 -","6","0.333333","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1189","0.0821","","","0.2513","0.2837","","","","","","1.18","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230795","4.8172","0.0001","9.6864","0.0003","11.2302","0.0003","90","","96.724","0.003","90","","520.41","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","sulfanilamid sulfamic acid salt","4-aminobenzenosulfonamid sulfamic acid salt","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C12 H22 N6 O10 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0474","0.0364","","","0.0766","0.0852","","","","","","1.058","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230796","17.2685","0.0004","6.2883","0.0002","7.9171","0.0002","90","","97.627","0.003","90","","852.11","0.04","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","sulfanilamide (4-sulfamoyl-phenyl)oxalamic acid salt","4-aminobenzenesulfonamide (4-sulfamoyl-phenyl)oxalamic acid salt","","- C14 H16 N4 O7 S2 -","- C14 H16 N4 O7 S2 -","- C28 H32 N8 O14 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0601","0.0385","","","0.0886","0.0926","","","","","","0.965","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230806","14.5906","0.0001","14.5906","0.0001","32.7775","0.0005","90","","90","","120","","6043","0.11","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0422333 Pb -","- C36 H180 I72 N36 O0.7602 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0399","0.0315","","","0.0364","0.0378","","","","1.66","1.66","1.49","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230807","14.5645","0.0001","14.5645","0.0001","32.7195","0.0004","90","","90","","120","","6010.75","0.09","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0423333 Pb -","- C36 H180 I72 N36 O0.762 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0448","0.0389","","","0.0467","0.048","","","","2","2","1.85","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230808","5.7015","0.0005","8.4154","0.0008","10.3538","0.0008","90","","90.374","0.003","90","","496.77","0.07","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","succinic acid","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C16 H24 O16 -","4","0.5","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","0.71073","MoKα","","0.0734","0.0472","","","0.0818","0.0887","","","","","","1.095","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230809","11.3126","0.0005","5.5869","0.0003","9.6891","0.0004","90","","92.866","0.002","90","","611.61","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mono-methyl hydrogen succinate","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","1.54178","CuKα","","0.0598","0.0524","","","0.1194","0.1219","","","","","","1.257","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230811","11.9094","0.0003","15.1853","0.0003","18.4828","0.0005","88.647","0.002","78.856","0.002","74.191","0.002","3154.01","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76.005 N4 Ni4 O12 -","- C136 H152.01 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0602","0.0422","","","0.0974","0.1073","","","","","","1.043","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230812","14.847","0.0006","15.4487","0.0004","16.1018","0.0006","93.526","0.003","107.126","0.004","93.972","0.003","3508","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 N4 Ni4 O12 -","- C75 H87 N4 Ni4 O12 -","- C150 H174 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0944","0.0581","","","0.1425","0.1658","","","","","","1.063","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230813","12.2971","0.0005","15.3346","0.0005","18.3875","0.0006","87.653","0.003","76.413","0.003","73.288","0.003","3226.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 N4 Ni4 O12 -","- C71 H82 N4 Ni4 O12 -","- C142 H164 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1201","0.0651","","","0.1431","0.1666","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230814","12.2447","0.0017","15.152","0.002","18.04","0.003","86.793","0.011","81.407","0.012","74.996","0.012","3196.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H78 N4 Ni4 O12 -","- C69 H78 N4 Ni4 O12 -","- C138 H156 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1227","0.0734","","","0.1586","0.1852","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230815","14.9036","0.0004","15.4605","0.0003","16.1648","0.0004","93.592","0.002","106.783","0.002","94.242","0.002","3542.43","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H97 N4 Ni4 O12 -","- C76 H83 N4 Ni4 O12 -","- C152 H166 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0797","0.0532","","","0.136","0.1551","","","","","","1.046","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230816","21.5244","0.0003","20.8865","0.0003","14.2593","0.0002","90","","98.504","0.002","90","","6340.06","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76 N4 Ni4 O12 -","- C272 H304 N16 Ni16 O48 -","4","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0707","0.0448","","","0.0932","0.1037","","","","","","1.051","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230817","12.5096","0.0004","15.2713","0.0006","18.3851","0.0009","88.708","0.004","76.212","0.004","74.125","0.003","3277.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 Ni4 O12 -","- C72 H84 N4 Ni4 O12 -","- C144 H168 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.06","0.0417","","","0.0986","0.1095","","","","","","1.043","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230823","28.625","0.005","16.4514","0.0014","16.8783","0.001","90","","90","","90","","7948.4","1.6","295","","295","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 Co F16 I4 N4 -","- C28 H16 Cl2 Co F16 I4 N4 -","- C224 H128 Cl16 Co8 F128 I32 N32 -","8","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0671","0.0328","","","0.0623","0.0665","","","","","","0.8","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230824","16.5798","0.0017","15.3912","0.0009","16.652","0.002","90","","119.758","0.016","90","","3688.9","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0551","0.0302","","","0.0591","0.0619","","","","","","0.836","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230825","13.4604","0.0009","23.4681","0.0015","9.7735","0.0009","90","","102.252","0.007","90","","3017","0.4","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C120 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1068","0.0474","","","0.0623","0.0795","","","","","","0.996","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230826","14.5049","0.0005","8.5031","0.0004","30.2853","0.0013","90","","90","","90","","3735.3","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0494","0.0288","","","0.0551","0.0577","","","","","","0.858","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230827","7.9892","0.0004","13.5176","0.0007","33.897","0.002","90","","92.075","0.005","90","","3658.3","0.3","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 Cl2 Co F10 I2 N4 -","- C36 H16 Cl2 Co F10 I2 N4 -","- C144 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0563","0.0338","","","0.0534","0.0598","","","","","","1.053","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230828","13.7036","0.0012","15.5273","0.001","15.8979","0.0011","90","","111.746","0.009","90","","3142","0.5","295","","295","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 Cl2 Co F8 I2 N4 -","- C28 H16 Cl2 Co F8 I2 N4 -","- C112 H64 Cl8 Co4 F32 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0713","0.0599","","","0.1486","0.1582","","","","","","1.074","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230829","8.2507","0.0006","12.9627","0.0013","32.399","0.002","90","","92.121","0.006","90","","3462.7","0.5","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F10 I2 N4 -","- C32 H16 Cl2 Co F10 I2 N4 -","- C128 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0566","0.045","","","0.0702","0.0736","","","","","","1.172","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230830","7.8226","0.0006","25.788","0.002","14.3532","0.0009","90","","99.146","0.007","90","","2858.6","0.4","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.107","0.0474","","","0.0812","0.106","","","","","","0.911","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230831","12.687","0.0008","14.1661","0.001","16.011","0.0012","90","","104.732","0.007","90","","2783","0.3","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0982","0.0476","","","0.0759","0.0938","","","","","","0.995","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230832","8.5903","0.0005","12.701","0.0007","16.295","0.0011","69.852","0.006","88.6","0.005","84.665","0.005","1661.79","0.19","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Cl2 Co F3 I3 N4 O -","- C28 H22 Cl2 Co F3 I3 N4 O -","- C56 H44 Cl4 Co2 F6 I6 N8 O2 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1091","0.035","","","0.0417","0.0478","","","","","","0.646","","","","has coordinates,has disorder","228977","2020-10-21","18:00:00",""
"7230833","9.576","0.0004","13.1124","0.0006","21.2891","0.001","100.877","0.004","99.44","0.004","96.238","0.004","2562.5","0.2","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H16 Cl2 Co F9 I9 N4 -","- C42 H16 Cl2 Co F9 I9 N4 -","- C84 H32 Cl4 Co2 F18 I18 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0858","0.0485","","","0.0973","0.1161","","","","","","1.028","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230834","8.1204","0.0007","13.9649","0.0008","14.147","0.0007","99.902","0.004","100.089","0.005","105.734","0.006","1478.96","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C60 H32 Cl4 Co2 F8 I4 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0735","0.0382","","","0.0696","0.0744","","","","","","0.806","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230835","20.6757","0.0004","10.9903","0.0002","11.8544","0.0002","90","","90","","90","","2693.7","0.08","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 N4 O P2 S Se2 -","- C18 H44 N4 O P2 S Se2 -","- C72 H176 N16 O4 P8 S4 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0224","0.0187","","","0.0442","0.0456","","","","","","1.024","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230836","50.3437","0.0018","17.142","0.0005","10.2119","0.0003","90","","90","","90","","8812.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H138 N18 O3 P6 Se6 -","- C57 H138 N18 O3 P6 Se6 -","- C228 H552 N72 O12 P24 Se24 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0403","0.0293","","","0.0556","0.0586","","","","","","1.013","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230837","10.6563","0.0006","11.7263","0.0006","21.0354","0.001","90","","91.8","0.002","90","","2627.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H41 N5 P2 Se2 -","- C18 H41 N5 P2 Se2 -","- C72 H164 N20 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.1048","0.0521","","","0.1108","0.1343","","","","","","1.06","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230838","21.8437","0.0006","10.7274","0.0003","11.5787","0.0004","90","","90","","90","","2713.19","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N5 O P2 Se2 -","- C19 H44 N5 O P2 Se2 -","- C76 H176 N20 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0278","0.0223","","","0.0509","0.0527","","","","","","1.073","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230839","9.151","0.0002","16.1119","0.0003","11.5547","0.0002","90","","112.908","0.0007","90","","1569.26","0.05","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Br2 F4 N4 P2 Se2 -","- C22 H37.5 Br2 F4 N4 P2 Se2 -","- C44 H75 Br4 F8 N8 P4 Se4 -","2","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0321","0.0235","","","0.0499","0.0521","","","","","","1.027","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230840","17.5948","0.0003","17.2259","0.0003","18.9346","0.0004","90","","91.9478","0.0008","90","","5735.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H46 N6 O P2 Se2 -","- C19 H46 N6 O P2 Se2 -","- C152 H368 N48 O8 P16 Se16 -","8","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0685","0.0347","","","0.0625","0.0722","","","","","","1.004","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230841","11.2306","0.0005","15.1878","0.0006","15.8046","0.0006","90","","107.635","0.0014","90","","2569.07","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 N4 O P2 Se2 -","- C17 H42 N4 O P2 Se2 -","- C68 H168 N16 O4 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0826","0.0406","","","0.078","0.0898","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230842","16.1729","0.0003","23.0961","0.0003","33.2406","0.0005","90","","90","","90","","12416.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N7 P2 Se2 -","- C21 H51 N7 P2 Se2 -","- C336 H816 N112 P32 Se32 -","16","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0904","0.0412","","","0.0694","0.0842","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230843","20.57","0.003","11.104","0.002","12.117","0.002","90","","90","","90","","2767.6","0.8","240","2","240","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N4 O P2 Se2 -","- C19 H43 N4 O P2 Se2 -","- C76 H172 N16 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0785","0.0384","","","0.0849","0.1037","","","","","","0.984","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230844","7.6381","0.0005","8.0021","0.0005","8.1572","0.0005","109.201","0.004","105.966","0.004","109.054","0.004","402.13","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C16 H6 I2 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0382","0.0368","","","0.0918","0.0928","","","","","","1.059","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230845","6.9085","0.0006","7.7205","0.0005","9.6719","0.0007","93.192","0.003","110.609","0.004","94.05","0.003","479.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C16 H4 I4 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0617","0.0586","","","0.1776","0.1784","","","","","","1.159","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230846","7.9954","0.0006","15.2187","0.0011","7.5106","0.0005","90","","116.649","0.004","90","","816.81","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C32 H12 I4 N8 -","4","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0486","0.0403","","","0.1021","0.1067","","","","","","1.054","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230847","21.305","0.007","4.1552","0.0014","21.526","0.007","90","","95.091","0.009","90","","1898.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C64 H16 I16 N16 -","8","2","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0999","0.0682","","","0.1604","0.1788","","","","","","0.982","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230851","9.4289","0.0007","38.395","0.003","9.9447","0.0007","90","","107.876","0.001","90","","3426.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetracarbonyl-bis(triphenylphosphine)-molybdenum","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C160 H120 Mo4 O16 P8 -","4","1","","Tshabang, Never; Makgatle, Gaone P.; Bourne, Susan A.; Kann, Nina; Evans, Jack D.; Coudert, François-Xavier; Öhrström, Lars","Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals","CrystEngComm","2018","20","35","5137","","10.1039/C8CE00337H","","","0.71073","MoKα","","0.0627","0.0392","","","0.0771","0.0857","","","","","","1.016","","","","has coordinates","229128","2020-10-21","18:00:00",""
"7230852","10.9175","0.0002","11.1262","0.0002","11.6716","0.0002","92.504","0.001","96.84","0.001","91.789","0.001","1405.37","0.04","563","2","563","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C64 H52 Br4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0699","0.0362","","","0.0844","0.096","","","","","","0.958","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230853","10.902","0.0005","11.0152","0.0005","11.5729","0.0005","80.9869","0.0012","89.8172","0.0012","88.0995","0.0014","1371.85","0.11","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C64 H52 Cl4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0636","0.0402","","","0.0906","0.1034","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230854","18.9319","0.0013","9.4899","0.0006","14.4526","0.001","90","","90","","90","","2596.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C128 H104 Cl8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0801","0.0532","","","0.0962","0.107","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230855","17.251","0.002","9.2852","0.0011","17.34","0.002","90","","97.35","0.003","90","","2754.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C128 H104 Br8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.1206","0.0693","","","0.1532","0.1735","","","","","","1.06","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230856","10.536","0.002","10.734","0.0014","10.9542","0.0019","88.266","0.012","64.71","0.02","82.158","0.014","1109.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","1","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","1.54178","CuKα","","0.0707","0.0601","","","0.1802","0.2016","","","","","","1.057","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230857","17.0537","0.0005","13.2958","0.0004","15.2889","0.0004","90","","103.065","0.003","90","","3376.91","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.8 H21 Co N8 O12.8 -","- C33.8 H21 Co N8 O12.8 -","- C135.2 H84 Co4 N32 O51.2 -","4","1","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.0766","0.0426","","","0.0885","0.0929","","","","","","1.084","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230858","16.409","0.0008","27.965","0.002","12.6898","0.0008","90","","106.692","0.006","90","","5577.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C198 H138 Cl30 Co4 N40 O36 S8 -","2","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.1693","0.1352","","","0.2592","0.2735","","","","","","1.078","","","","has coordinates,has disorder","228915","2020-10-21","18:00:00",""
"7230867","8.6476","0.0003","15.247","0.0004","20.5679","0.0007","90","","90","","90","","2711.88","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Br2 Cu N8 S -","- C21 H20 Br2 Cu N8 S -","- C84 H80 Br8 Cu4 N32 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0465","0.0442","","","0.1269","0.1294","","","","","","1.082","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230868","8.77","0.0003","14.9616","0.0004","20.7948","0.0006","90","","90","","90","","2728.55","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 Cu N7 O1.5 S -","- C21 H24 Br2 Cu N7 O1.5 S -","- C84 H96 Br8 Cu4 N28 O6 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0564","0.0552","","","0.1563","0.1579","","","","","","1.096","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230869","8.8761","0.0003","15.2703","0.0005","21.1399","0.0011","90","","90","","90","","2865.3","0.2","293","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 Cu N6 O2 S -","- C22 H26 Br2 Cu N6 O2 S -","- C88 H104 Br8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0514","0.046","","","0.1388","0.1473","","","","","","1.09","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230870","8.4816","0.0006","15.3597","0.0017","19.7243","0.0015","90","","90","","90","","2569.6","0.4","112","19","112","19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18.5 H16.25 Br2 Cu N6.75 S -","- C18.5 H16.25 Br2 Cu N6.75 S -","- C74 H65 Br8 Cu4 N27 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0954","0.0843","","","0.2284","0.242","","","","","","1.066","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230871","8.752","0.0002","15.3925","0.0003","20.4584","0.0004","90","","90","","90","","2756.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C80 H96 Br8 Cl8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.1083","0.1107","","","","","","1.08","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230872","7.7414","0.0005","7.7414","0.0005","7.0841","0.0007","90","","90","","120","","367.67","0.05","295","2","295","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","MA2AgInBr6","","","- C2 H12 Ag Br6 In N2 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutrons","","0.0628","0.0545","","","0.1144","0.1202","","","","","","1.041","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230873","7.6324","0.0004","7.6324","","7.0554","0.0006","90","","90","","120","","355.94","0.04","95","2","95","2","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutron","","0.0352","0.0348","","","0.066","0.0662","","","","","","1.105","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230874","7.6399","0.0011","7.6399","0.0011","7.0651","0.0014","90","","90","","120","","357.13","0.1","95","1","95","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","x-ray","0.71073","MoKα","","0.0204","0.0204","","","0.0486","0.0486","","","","","","1.14","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230875","7.702","0.001","7.702","0.001","7.072","0.001","90","","90","","120","","363.31","0.08","213","2","213","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Br6 In N2 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.71075","MoKα","","0.0246","0.0237","","","0.0569","0.0576","","","","","","1.136","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230876","9.1895","0.0006","10.5129","0.0006","11.6426","0.0008","104.52","0.005","101.61","0.006","108.748","0.006","981.14","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.0653","0.0455","","","0.1016","0.1172","","","","","","1.047","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230877","15.6022","0.0006","16.5942","0.0006","16.3829","0.0006","90","","90","","90","","4241.6","0.3","283","2","283","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C148 H140 Ag8 Cl12 N16 O16 P8 S4 -","4","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1364","0.0689","","","0.2027","0.2548","","","","","","1.026","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230878","9.3658","0.0019","10.897","0.002","12.166","0.002","104.48","0.03","106.68","0.03","105.64","0.03","1070.8","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1168","0.1132","","","0.3334","0.3401","","","","","","1.029","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230879","9.2258","0.0009","16.0663","0.0016","15.1632","0.0017","90","","90.09","","90","","2247.6","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Ag N2 O3 P -","- C25 H22 Ag N2 O3 P -","- C100 H88 Ag4 N8 O12 P4 -","4","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1324","0.0741","","","0.1695","0.2095","","","","","","1.032","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230880","15.3788","0.0005","17.2961","0.0006","16.4091","0.0006","90","","90","","90","","4364.7","0.3","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H17 Ag N3 O4 P -","- C20 H17 Ag N3 O4 P -","- C160 H136 Ag8 N24 O32 P8 -","8","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1056","0.071","","","0.1961","0.2228","","","","","","1.036","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230881","9.5636","0.0006","9.8309","0.0005","13.581","0.0007","97.163","0.004","92.151","0.005","117.293","0.006","1119.35","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Ag N2 O2 P -","- C25 H22 Ag N2 O2 P -","- C50 H44 Ag2 N4 O4 P2 -","2","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.086","0.0505","","","0.0743","0.0892","","","","","","1.072","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230885","8.5756","0.0001","15.1244","0.0002","18.2776","0.0005","112.516","0.001","99.834","0.004","98.038","0.003","2102.17","0.09","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.23 H82.45 Cl2.45 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","1","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.7107","MoKα","","0.0427","0.0403","","","0.1016","0.1091","","","","","","1.086","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230886","9.8918","0.001","14.2582","0.0013","39.597","0.003","90","","93.948","0.002","90","","5571.5","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.87 H87.74 Au4 Cl11.73 O10 P4 Sn4 -","- C87.876 H87.752 Au4 Cl11.752 O10 P4 Sn4 -","- C175.752 H175.504 Au8 Cl23.504 O20 P8 Sn8 -","2","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.71075","MoKα","","0.0941","0.0686","","","0.1628","0.1782","","","","","","1.073","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230893","10.596","0.001","12.337","0.0012","13.722","0.002","90","","102.789","0.013","90","","1749.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*,2S*)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.105","0.0551","","","0.1083","0.1307","","","","","","0.985","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230894","9.2194","0.0006","10.2234","0.0005","17.0821","0.0009","90","","99.026","0.005","90","","1590.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0776","0.0374","","","0.0663","0.072","","","","","","0.802","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230895","20.6565","0.0013","4.9157","0.0003","16.516","0.001","90","","90","","90","","1677.05","0.18","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0677","0.0386","","","0.0584","0.0627","","","","","","0.806","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230896","10.7168","0.0006","11.1292","0.0005","15.2937","0.0008","90","","106.246","0.006","90","","1751.23","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0847","0.05","","","0.0947","0.1024","","","","","","0.925","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230897","10.5625","0.0009","11.9958","0.001","14.2676","0.001","90","","104.793","0.008","90","","1747.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}benzoic acid","","- C19 H15 N5 O3 -","- C19 H15 N5 O3 -","- C76 H60 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1104","0.0713","","","0.1724","0.2033","","","","","","1.036","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230898","10.645","0.001","9.879","0.001","15.864","0.002","90","","92.52","0.01","90","","1666.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0769","0.0519","","","0.1058","0.1213","","","","","","1.041","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230899","9.7517","0.0007","21.1933","0.0015","14.2957","0.001","90","","103.149","0.007","90","","2877","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-oxo-4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinyl}butanoic acid","","- C15 H15 N5 O3 -","- C15 H15 N5 O3 -","- C120 H120 N40 O24 -","8","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1341","0.0645","","","0.1056","0.1283","","","","","","0.996","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230900","20.275","0.002","10.7573","0.0011","17.3839","0.0017","90","","95.541","0.002","90","","3773.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1085","0.0979","","","0.3693","0.3919","","","","","","1.842","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230901","20.0103","0.0008","10.5732","0.0005","17.375","0.0008","90","","96.172","0.001","90","","3654.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1061","0.063","","","0.1434","0.172","","","","","","1.075","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230920","22.6151","0.0005","22.6151","0.0005","6.5646","0.0003","90","","90","","90","","3357.42","0.19","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0576","0.0449","","","0.0793","0.0858","","","","","","1.007","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230921","22.2989","0.0005","22.2989","0.0005","6.6471","0.0002","90","","90","","90","","3305.21","0.14","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0309","0.0275","","","0.0537","0.0554","","","","","","1.017","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230922","22.5083","0.0008","22.5083","0.0008","6.5855","0.0004","90","","90","","90","","3336.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0709","0.0532","","","0.0888","0.0982","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230923","22.6482","0.0005","22.6482","0.0005","6.5591","0.0002","90","","90","","90","","3364.43","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0498","0.0453","","","0.1083","0.1121","","","","","","1.053","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230924","22.5635","0.0005","22.5635","0.0005","6.5794","0.0002","90","","90","","90","","3349.65","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0529","0.0428","","","0.0762","0.0824","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230925","22.7194","0.0019","22.7194","0.0019","6.5611","0.0008","90","","90","","90","","3386.7","0.6","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0511","0.043","","","0.0936","0.0975","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230926","22.7012","0.0019","22.7012","0.0019","6.5603","0.0009","90","","90","","90","","3380.8","0.6","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1497","0.0957","","","0.188","0.2319","","","","","","1.054","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230927","22.6722","0.0006","22.6722","0.0006","6.5648","0.0003","90","","90","","90","","3374.5","0.2","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.062","0.0449","","","0.0709","0.0769","","","","","","1.028","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230928","22.738","0.002","22.738","0.002","6.5434","0.0009","90","","90","","90","","3383","0.6","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0774","0.0641","","","0.1559","0.1663","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230929","22.3673","0.0005","22.3673","0.0005","6.6855","0.0002","90","","90","","90","","3344.73","0.15","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.045","0.0376","","","0.0782","0.0808","","","","","","1.064","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230930","22.37","0.0006","22.37","0.0006","6.6942","0.0003","90","","90","","90","","3349.9","0.2","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0476","0.0388","","","0.0745","0.0776","","","","","","1.066","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230931","22.4172","0.0008","22.4172","0.0008","6.6766","0.0005","90","","90","","90","","3355.2","0.3","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0522","0.0394","","","0.0567","0.0611","","","","","","0.997","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230932","22.739","0.002","22.739","0.002","6.5506","0.0008","90","","90","","90","","3387.1","0.6","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0555","0.0443","","","0.0919","0.0966","","","","","","1.021","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230933","22.3068","0.0003","22.3068","0.0003","6.6532","0.0002","90","","90","","90","","3310.59","0.12","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0346","0.0283","","","0.0428","0.0448","","","","","","0.996","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230934","22.358","0.002","22.358","0.002","6.6738","0.0014","90","","90","","90","","3336.1","0.8","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0957","0.0786","","","0.1671","0.1811","","","","","","1.053","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230935","22.543","0.002","22.543","0.002","6.6249","0.0012","90","","90","","90","","3366.7","0.7","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1381","0.1062","","","0.2114","0.2401","","","","","","1.046","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230936","22.3926","0.0019","22.3926","0.0019","6.6569","0.0013","90","","90","","90","","3338","0.8","240","2","240","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1158","0.0883","","","0.1673","0.1896","","","","","","1.042","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230937","22.4161","0.0005","22.4161","0.0005","6.6101","0.0003","90","","90","","90","","3321.45","0.18","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0566","0.0456","","","0.0818","0.0881","","","","","","1.038","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230938","22.6358","0.0009","22.6358","0.0009","6.5964","0.0004","90","","90","","90","","3379.9","0.3","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0549","0.0411","","","0.0559","0.0608","","","","","","0.978","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230939","22.5343","0.0009","22.5343","0.0009","6.6415","0.0005","90","","90","","90","","3372.5","0.3","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0543","0.0416","","","0.06","0.0643","","","","","","0.981","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230940","22.7219","0.0011","22.7219","0.0011","6.589","0.0006","90","","90","","90","","3401.8","0.4","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0871","0.0635","","","0.0985","0.1109","","","","","","1.024","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230941","22.581","0.002","22.581","0.002","6.665","0.0014","90","","90","","90","","3398.5","0.8","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1282","0.0934","","","0.1922","0.2233","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230951","25.068","0.005","42.667","0.002","13.8078","0.0011","90","","90","","90","","14768","3","100.01","0.1","100.01","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C42 H18 O16 Zr3 -","- C42 H18 O16 Zr3 -","- C336 H144 O128 Zr24 -","8","0.5","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54184","CuKα","","0.101","0.0711","","","0.1909","0.216","","","","","","0.943","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230952","42.7196","0.0015","23.6272","0.0018","21.5936","0.0009","90","","120.317","0.004","90","","18814.8","1.9","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu2 O10 -","- C42 H22 Cu2 O10 -","- C336 H176 Cu16 O80 -","8","1","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54178","CuKα","","0.1478","0.0991","","","0.2629","0.2937","","","","","","1.04","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230953","4.8969","0.0007","14.198","0.002","14.446","0.002","110.345","0.003","91.603","0.003","94.335","0.003","937.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0841","0.0623","","","0.1593","0.1733","","","","","","1.043","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230954","7.1065","0.0008","11.5273","0.0012","32.724","0.003","90","","90","","90","","2680.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 Ni O14 -","- C22 H36 N2 Ni O14 -","- C88 H144 N8 Ni4 O56 -","4","1","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0596","0.0571","","","0.1362","0.1378","","","","","","1.118","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230955","9.8329","0.001","14.8689","0.0016","15.4142","0.0016","83.428","0.002","72.557","0.002","71.871","0.002","2042.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.1281","0.097","","","0.203","0.213","","","","","","1.145","","","","has coordinates","228878","2020-10-21","18:00:00",""
"7230956","7.632","0.006","17.468","0.009","5.313","0.005","90","","95.791","0.007","90","","704.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0322","0.0322","","","","","","1.145","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230957","5.1074","0.0004","17.6516","0.0015","9.0688","0.0008","90","","94.061","0.009","90","","815.53","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 O6 U -","- C14 H8 Br2 O6 U -","- C28 H16 Br4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0325","0.0223","","","0.0478","0.0512","","","","","","1.022","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230958","5.0806","0.0004","17.9621","0.0012","9.3867","0.0006","90","","93.553","0.008","90","","854.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 I2 O6 U -","- C14 H8 I2 O6 U -","- C28 H16 I4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0263","0.0233","","","0.0558","0.057","","","","","","1.089","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230959","18.391","0.008","8.604","0.005","10.512","0.007","90","","90.911","0.006","90","","1663.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl4 O14 U2 -","- C28 H20 Cl4 O14 U2 -","- C56 H40 Cl8 O28 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0349","0.0246","","","0.0555","0.058","","","","","","1.045","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230976","14.89","0.008","10.564","0.005","23.285","0.011","90","","107.455","0.006","90","","3494","3","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 Eu O8 P -","- C21 H14 Eu O8 P -","- C84 H56 Eu4 O32 P4 -","4","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.1846","0.0714","","","0.1614","0.2032","","","","","","0.913","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230977","10.4402","0.0006","14.6618","0.0008","23.087","0.0013","72.521","0.002","88.719","0.002","87.591","0.002","3367.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Dy2 O16 P2 -","- C42 H28 Dy2 O16 P2 -","- C84 H56 Dy4 O32 P4 -","2","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.0642","0.06","","","0.1437","0.1461","","","","","","1.117","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230978","15.06","0.003","17.24","0.003","18.79","0.004","92.09","0.03","100.49","0.03","115.21","0.03","4304","2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H77 Co4 N14 O39.5 -","- C90 H74 Co4 N14 O39.5 -","- C180 H148 Co8 N28 O79 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.125","0.088","","","0.2352","0.2699","","","","","","1.007","","","","has coordinates,has disorder","228875","2020-10-21","18:00:00",""
"7230979","16.464","0.003","9.18","0.0018","25.501","0.005","90","","101.94","0.03","90","","3770.8","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Co N6 O16 -","- C40 H32 Co N6 O16 -","- C160 H128 Co4 N24 O64 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0561","0.0508","","","0.1344","0.1385","","","","","","1.052","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230980","9.669","0.0019","13.649","0.003","14.082","0.003","109.91","0.03","106.2","0.03","99.92","0.03","1602.8","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 N4 O8 Zn -","- C30 H18 N4 O8 Zn -","- C60 H36 N8 O16 Zn2 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1466","0.0972","","","0.2803","0.3216","","","","","","1.058","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230981","26.66","0.005","7.272","0.0015","27.642","0.006","90","","90","","90","","5359","1.9","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H54 Co2 N8 O18 -","- C60 H54 Co2 N8 O18 -","- C240 H216 Co8 N32 O72 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0929","0.0781","","","0.2057","0.2171","","","","","","1.032","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230982","27.105","0.005","14.012","0.003","7.495","0.0015","90","","94.37","0.03","90","","2838.3","1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N4 O10 -","- C28 H30 Cu N4 O10 -","- C112 H120 Cu4 N16 O40 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","Synchrotron","","0.1425","0.0849","","","0.2502","0.2917","","","","","","1.045","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230983","11.713","0.002","11.938","0.002","12.993","0.003","115.19","0.03","105.01","0.03","96.15","0.03","1538.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cu N4 O8 -","- C30 H18 Cu N4 O8 -","- C60 H36 Cu2 N8 O16 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1171","0.0775","","","0.1915","0.2173","","","","","","1.055","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230984","7.251","0.0015","18.38","0.004","17.791","0.004","90","","92.74","0.03","90","","2368.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Co N4 O8 -","- C28 H16 Co N4 O8 -","- C112 H64 Co4 N16 O32 -","4","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0682","0.0657","","","0.1422","0.1444","","","","","","1.218","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230985","16.827","0.003","28.485","0.006","7.4","0.0015","90","","90.71","0.03","90","","3546.7","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11.5 N2 O10.25 Zn -","- C18 H11 N2 O10.25 Zn -","- C144 H88 N16 O82 Zn8 -","8","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0977","0.0866","","","0.2614","0.2687","","","","","","1.079","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230986","16.468","0.003","9.169","0.0018","25.512","0.005","90","","102.04","0.03","90","","3767.4","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 O16 Zn -","- C40 H32 N6 O16 Zn -","- C160 H128 N24 O64 Zn4 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1341","0.0901","","","0.222","0.2552","","","","","","1.043","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230987","9.864","0.002","13.216","0.003","13.312","0.003","113.74","0.03","98.29","0.03","92.58","0.03","1561.7","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cu N5 O13 -","- C32 H27 Cu N5 O13 -","- C64 H54 Cu2 N10 O26 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0842","0.0684","","","0.1913","0.2073","","","","","","1.038","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230988","10.1188","0.0007","10.942","0.0011","11.7024","0.001","63.853","0.009","82.358","0.006","72.588","0.007","1109.8","0.19","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N3 O8.18 Zn -","- C23 H13 N3 O8.168 Zn -","- C46 H26 N6 O16.336 Zn2 -","2","1","","Shi, Ying; Song, Tian-Qun; Cao, Chun-Shuai; Zhao, Bin","A two-fold interpenetrated zinc‒organic framework: luminescence detection of CrO42−/Cr2O72− and chemical conversion of CO2","CrystEngComm","2018","20","39","6040","","10.1039/C8CE00673C","","x-ray","0.71073","MoKα","","0.0761","0.0544","","","0.1313","0.1459","","","","","","0.941","","","","has coordinates","228979","2020-10-21","18:00:00",""
"7230989","8.0233","0.0005","7.9864","0.0006","9.3673","0.0006","90","","95.686","0.002","90","","597.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O7 -","- C8 H16 N4 O7 -","- C16 H32 N8 O14 -","2","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0284","0.0282","","","0.0752","0.0756","","","","","","1.068","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230990","31.8791","0.0012","5.0676","0.0002","8.8564","0.0004","90","","96.049","0.004","90","","1422.79","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C48 H96 N8 O16 -","4","0.5","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.046","0.0435","","","0.1163","0.1188","","","","","","1.085","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230991","9.4044","0.0002","8.2033","0.0002","7.775","0.0002","90","","101.659","0.001","90","","587.44","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0332","0.0329","","","0.0882","0.0885","","","","","","1.009","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230992","4.9064","0.0003","8.7118","0.0006","17.1527","0.0014","102.543","0.007","96.249","0.005","90.472","0.005","711.03","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","x-ray","1.54178","CuKα","","0.0528","0.0453","","","0.1155","0.1207","","","","","","1.049","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230993","9.8954","0.0004","19.31","0.0009","8.9868","0.0004","90","","90","","90","","1717.2","0.13","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C48 H96 N16 O32 -","8","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0455","0.0371","","","0.0996","0.106","","","","","","1.025","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230994","5.0193","0.0003","8.6051","0.0006","10.2069","0.0007","69.005","0.004","77.721","0.004","89.513","0.004","401.06","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0394","0.0389","","","0.096","0.0968","","","","","","1.045","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230995","19.637","0.004","4.9347","0.0013","8.4645","0.0017","90","","92.281","0.012","90","","819.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0734","0.0628","","","0.1894","0.2231","","","","","","1.137","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230996","8.0175","0.0004","8.1062","0.0004","9.2562","0.0004","90","","95.619","0.002","90","","598.68","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0333","0.033","","","0.0857","0.086","","","","","","1.18","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230997","14.8822","0.0007","14.2697","0.0007","12.8142","0.0006","90","","106.409","0.002","90","","2610.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil anisole solvate","","- C51 H68 N12 O9 S2 -","- C51 H68 N12 O9 S2 -","- C102 H136 N24 O18 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0658","0.0585","","","0.1644","0.1704","","","","","","1.037","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7230998","15.6055","0.0005","13.5523","0.0004","12.5064","0.0004","90","","106.362","0.001","90","","2537.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil dioxane solvate","","- C24 H34 N6 O5 S -","- C24 H34 N6 O5 S -","- C96 H136 N24 O20 S4 -","4","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0661","0.0405","","","0.0955","0.1181","","","","","","0.999","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7230999","14.8287","0.0006","14.3781","0.0006","12.7277","0.0005","90","","106.483","0.001","90","","2602.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-ethoxy-5-(4-methylpiperazin-1-yl) sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one","Sildenafil toluene solvate","","- C51 H68 N12 O8 S2 -","- C51 H68 N12 O8 S2 -","- C102 H136 N24 O16 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0415","0.0339","","","0.0949","0.0994","","","","","","1.044","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7231000","16.3399","0.0007","8.5767","0.0003","40.1148","0.0016","90","","90","","90","","5621.8","0.4","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sildenafil chloroform solvate","","- C23 H31 Cl3 N6 O4 S -","- C23 H31 Cl3 N6 O4 S -","- C184 H248 Cl24 N48 O32 S8 -","8","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.1117","0.0661","","","0.1718","0.1981","","","","","","1.026","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7231001","7.176","0.002","13.512","0.005","11.93","0.004","90","","106.582","0.005","90","","1108.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-Bromo-1-adamantyl)acetic acid, 3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid","3-bromoadamantane-1-acetic acid","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0232","0.0188","","","0.0482","0.0499","","","","","","1.062","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231002","18.173","0.013","6.598","0.005","18.585","0.013","90","","111.339","0.011","90","","2076","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-Adamantylacetic acid","1-Adamantaneacetic acid","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0737","0.0426","","","0.0938","0.1094","","","","","","1.026","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231003","4.9952","0.0004","5.9493","0.0005","13.8126","0.0012","95.593","0.013","90.98","0.012","90.965","0.011","408.4","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0904","0.0659","","","0.1615","0.1743","","","","","","1.107","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231004","9.6161","0.0008","18.9415","0.0018","9.993","0.0009","90","","90","","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1277","0.0506","","","0.1188","0.1662","","","","","","0.892","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231005","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1348","0.0499","","","0.1264","0.179","","","","","","0.945","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231006","11.288","0.0008","10.062","0.0007","23.0573","0.0016","90","","103.722","0.004","90","","2544.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0653","0.0392","","","0.105","0.1279","","","","","","0.878","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231007","9.1728","0.0007","17.8422","0.0014","10.42","0.0008","90","","90","","90","","1705.4","0.2","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca0.61 N3 O6 Sr0.4 -","- C9 H21 Br2 Ca0.605 N3 O6 Sr0.395 -","- C36 H84 Br8 Ca2.42 N12 O24 Sr1.58 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0787","0.0384","","","0.112","0.1421","","","","","","0.895","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231008","5.0003","0.0005","5.9936","0.0006","13.845","0.0015","95.502","0.019","91.031","0.019","91.228","0.017","412.84","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0886","0.0422","","","0.1041","0.1271","","","","","","0.64","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231009","9.8652","0.0007","19.267","0.0015","10.3186","0.0008","90","","90","","90","","1961.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0916","0.0421","","","0.0964","0.1239","","","","","","0.977","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231010","11.3056","0.0007","10.0982","0.0007","23.1494","0.0016","90","","103.484","0.008","90","","2570","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1344","0.0545","","","0.136","0.1725","","","","","","0.826","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231011","4.7711","0.0004","5.3186","0.0004","13.5193","0.0012","84.365","0.012","82.08","0.012","87.969","0.012","338.06","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.092","0.0625","","","0.2379","0.2468","","","","","","1.639","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231012","8.7723","0.0006","10.5359","0.0007","36.582","0.0003","90","","90","","90","","3381.1","0.3","173","2","173","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0445","0.0307","","","0.1102","0.1299","","","","","","1.015","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231013","8.793","0.0006","10.3957","0.0007","17.9","0.0013","90","","91.982","0.006","90","","1635.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0955","0.0451","","","0.1118","0.1431","","","","","","0.857","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231014","4.8078","0.0004","5.3548","0.0004","13.662","0.0012","83.825","0.012","82.288","0.012","87.503","0.012","346.37","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0777","0.0429","","","0.1082","0.1289","","","","","","0.815","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231015","8.7535","0.0006","10.3752","0.0007","17.8337","0.0013","90","","91.867","0.006","90","","1618.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0768","0.039","","","0.1001","0.1262","","","","","","0.823","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231016","8.8611","0.0006","10.5404","0.0007","36.611","0.0003","90","","90","","90","","3419.5","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0845","0.0501","","","0.1551","0.1782","","","","","","1.165","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231017","4.7825","0.0005","5.3422","0.0005","13.6722","0.0014","84.343","0.017","80.426","0.017","88.026","0.017","342.71","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1018","0.0648","","","0.2188","0.2299","","","","","","1.335","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231018","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0333","0.0274","","","0.0902","0.0957","","","","","","0.799","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231019","9.5844","0.0006","18.9445","0.0013","9.9448","0.0006","90","","90","","90","","1805.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.051","0.0288","","","0.0868","0.109","","","","","","0.794","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231020","8.9965","0.0007","17.6045","0.0003","10.3191","0.0015","90","","90","","90","","1634.3","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Ca0.57 Cl2 N3 O6 Sr0.43 -","- C9 H21 Ca0.566 Cl2 N3 O6 Sr0.434 -","- C36 H84 Ca2.264 Cl8 N12 O24 Sr1.736 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0666","0.0522","","","0.146","0.1521","","","","","","1.079","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231021","9.8288","0.0007","19.216","0.0015","10.2845","0.0008","90","","90","","90","","1942.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0799","0.0406","","","0.0947","0.1149","","","","","","0.978","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231022","11.8036","0.0001","33.2827","0.0004","12.5383","0.0001","90","","109.616","0.001","90","","4639.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate","","- C81 H96 Ag2 B2 F8 N14 O22 -","- C81 H92 Ag2 B2 F8 N14 O22 -","- C162 H184 Ag4 B4 F16 N28 O44 -","2","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.0754","0.0704","","","0.2009","0.208","","","","","","1.036","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231023","34.7067","0.0011","20.143","0.0005","32.4896","0.0013","90","","103.879","0.004","90","","22050.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II)nitrate","","- C114 H84 Co3 N18 O48 -","- C114 H84 Co3 N12 O30 -","- C456 H336 Co12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1043","0.0841","","","0.2736","0.2882","","","","","","1.107","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231024","13.6325","0.0004","14.2524","0.0002","14.6263","0.0006","81.277","0.003","67.96","0.003","79.096","0.002","2576.42","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate","","- C60 H43 N7 O13 -","- C60 H43 N7 O13 -","- C120 H86 N14 O26 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1011","0.0642","","","0.1879","0.2075","","","","","","0.969","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231025","35.931","0.0011","20.5186","0.0005","32.4986","0.0015","90","","111.33","0.003","90","","22318.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C120 H86 Br6 Co3 N14 O26 -","- C120 H86 Br6 Co3 N14 O26 -","- C480 H344 Br24 Co12 N56 O104 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1114","0.0884","","","0.2873","0.303","","","","","","1.06","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231026","35.226","0.003","20.1867","0.0012","33.622","0.002","90","","110.454","0.009","90","","22401","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexachlorobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C114 H72 Cl6 Co3 N12 O24 -","- C114 H72 Cl6 Co3 N12 O24 -","- C456 H288 Cl24 Co12 N48 O96 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1674","0.1297","","","0.3405","0.3663","","","","","","1.08","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231027","34.8581","0.0012","20.3238","0.0007","30.9326","0.0009","90","","97.984","0.003","90","","21701.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricopper(II)nitrate","","- C114 H84 Cu3 N18 O48 -","- C114 H72 Cu3 N12 O30 -","- C456 H288 Cu12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1204","0.0957","","","0.2812","0.3043","","","","","","0.999","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231028","19.6665","0.0004","19.6665","0.0004","31.6873","0.001","90","","90","","120","","10613.8","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","trisbromotriscarbonylbis{hexakis(isonicotinoyl)cyclotricatechylene}trirhenium(I) nitromethane clathrate","","- C119 H90 Br3 N14 O37 Re3 -","- C116 H78.12 Br3 N14 O33.96 Re3 -","- C348 H234.36 Br9 N42 O101.88 Re9 -","3","0.0833333","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1518","0.1496","","","0.497","0.5003","","","","","","2.517","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231029","35.4694","0.0008","20.3503","0.0005","33.3657","0.0007","90","","110.579","0.003","90","","22547","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetraquobis{hexakis(isonicotinoyl)cyclotricatechylene}diiodotricobalt(II) iodide","","- C114 H81 Co3 I6 N12 O28.5 -","- C114 H72 Co3 I4 N12 O28.5 -","- C456 H288 Co12 I16 N48 O114 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.162","0.1409","","","0.393","0.4171","","","","","","1.559","","","","has coordinates,has disorder","228882","2020-10-21","18:00:00",""
"7231030","18.1806","0.0011","18.4809","0.0011","19.4599","0.0013","103.319","0.006","109.243","0.006","103.091","0.005","5672.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","[hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II)","","","- C69 H40 Cu2 F9 N7 O20 -","- C69 H40 Cu2 F9 N7 O20 -","- C138 H80 Cu4 F18 N14 O40 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","x-ray","1.54184","CuKα","","0.1792","0.1249","","","0.3474","0.3868","","","","","","1.054","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231031","8.9164","0.0006","16.6045","0.001","16.3908","0.0011","90","","101.409","0.003","90","","2378.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 F6 N2 -","- C29 H18 F6 N2 -","- C116 H72 F24 N8 -","4","2","","Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.","High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal","CrystEngComm","2018","20","39","6046","","10.1039/C8CE00696B","","","0.71073","MoKα","","0.1183","0.0836","","","0.2499","0.2874","","","","","","1.045","","","","has coordinates","228968","2020-10-21","18:00:00",""
"7231032","20.84368","0.00081","20.84368","0.00081","24.3675","0.0025","90","","90","","120","","9168.3","1.1","","","298","","","","","","","","","4","P 63/m","-P 6c","176","","Hf-CAU-39","Hf-CAU-39","- C72 Hf12 N24 O104.38 -","- C72 Hf12 N24 O104.38 -","- C144 Hf24 N48 O208.76 -","2","0.166667","","Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert","Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs","CrystEngComm","2018","20","35","5108","","10.1039/C8CE00949J","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229125","2020-10-21","18:00:00",""
"7231033","16.9172","0.0002","16.9172","0.0002","17.9975","0.0003","90","","90","","120","","4460.67","0.11","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C65 H64 Fe N12 O7 -","- C65 H59 Fe N12 O6 -","- C195 H177 Fe3 N36 O18 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.043","0.0381","","","0.0979","0.1048","","","","","","1.069","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231034","17.079","0.0013","17.079","0.0013","17.9429","0.0016","90","","90","","120","","4532.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C65 H66 Co N12 O8 -","- C57 H36 Co N12 O4 -","- C171 H108 Co3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0612","0.0506","","","0.133","0.1468","","","","","","1.044","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231035","17.008","0.0015","17.008","0.0015","18.496","0.0018","90","","90","","120","","4633.6","0.7","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C69 H70 Fe N12 O7 -","- C61 H43 Fe N12 O5 -","- C183 H129 Fe3 N36 O15 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.1264","0.0828","","","0.1954","0.2231","","","","","","0.938","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231036","17.7212","0.0004","18.6855","0.0006","20.2478","0.0004","90","","90","","90","","6704.6","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H68 F9 Fe N12 O11 -","- C62 H36 F9 Fe N12 O -","- C248 H144 F36 Fe4 N48 O4 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0721","0.0618","","","0.1705","0.1839","","","","","","1.063","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231037","17.0059","0.0002","17.0059","0.0002","17.2491","0.0002","90","","90","","120","","4320.13","0.09","150","0.1","150","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C57 H44 Fe N12 O5 -","- C57 H39 Fe N12 O4 -","- C171 H117 Fe3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.038","0.0378","","","0.1089","0.1092","","","","","","1.088","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231038","18.1082","0.0008","15.7956","0.0005","20.1176","0.0008","90","","100.471","0.004","90","","5658.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H47 Co F9 N12 O4 -","- C60 H31 Co F9 N12 O2 -","- C240 H124 Co4 F36 N48 O8 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.111","0.0772","","","0.2246","0.2542","","","","","","1.059","","","","has coordinates,has disorder","228877","2020-10-21","18:00:00",""
"7231043","11.7141","0.0003","18.6463","0.0005","27.0913","0.0007","90","","90","","90","","5917.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","0.71073","MoKα","","0.0857","0.059","","","0.1475","0.1639","","","","","","1.08","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231044","5.0771","0.0006","10.394","0.0019","33.371","0.007","90","","90","","90","","1761","0.5","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C60 H112 N8 O20 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","1.54184","CuKα","","0.1034","0.0806","","","0.2175","0.2645","","","","","","1.067","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231045","9.9154","0.0008","9.9154","0.0008","21.343","0.002","90","","90","","90","","2098.3","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0217","0.0191","","","0.0485","0.0505","","","","","","1.092","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231046","9.9138","0.0003","9.9138","0.0003","21.3276","0.0008","90","","90","","90","","2096.15","0.12","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0204","0.0203","","","0.0538","0.0539","","","","","","1.143","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231047","9.9041","0.0003","9.9041","0.0003","21.3545","0.0007","90","","90","","90","","2094.69","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0197","","","0.0507","0.0507","","","","","","1.134","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231048","9.8663","0.0006","9.8663","0.0006","21.1146","0.0017","90","","90","","90","","2055.4","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0187","0.0178","","","0.0473","0.0477","","","","","","1.137","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231049","9.9077","0.0012","9.9077","0.0012","21.33","0.003","90","","90","","90","","2093.8","0.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0193","","","0.0502","0.0509","","","","","","1.127","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231050","9.8592","0.0004","9.8592","0.0004","21.122","0.001","90","","90","","90","","2053.14","0.15","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0162","0.016","","","0.044","0.0442","","","","","","1.129","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231051","9.8258","0.0019","9.8258","0.0019","21.005","0.005","90","","90","","90","","2028","0.7","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0164","0.0156","","","0.0405","0.0408","","","","","","1.08","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231052","9.8329","0.0012","9.8329","0.0012","21.061","0.002","90","","90","","90","","2036.3","0.4","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0266","0.0235","","","0.0565","0.0575","","","","","","1.04","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231057","4.5145","0.0004","12.0237","0.0011","28.87","0.003","90","","90","","90","","1567.1","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N12 O10 -","- C8 H6 N12 O10 -","- C32 H24 N48 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0733","0.0431","","","0.0876","0.0991","","","","","","1.041","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231058","4.7645","0.0006","6.9326","0.0008","12.4985","0.0014","100.528","0.004","93.057","0.004","108.417","0.004","382.35","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","1","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0783","0.0419","","","0.0696","0.0791","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231059","8.0468","0.0005","16.0227","0.001","8.3828","0.0004","90","","105.085","0.002","90","","1043.56","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0558","0.0369","","","0.0766","0.0837","","","","","","1.026","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231060","11.9711","0.0012","6.8493","0.0006","13.2618","0.0012","90","","102.882","0.003","90","","1060.02","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0864","0.0453","","","0.082","0.0942","","","","","","1.048","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231061","14.701","0.003","4.1634","0.0007","14.187","0.0019","90","","110.503","0.007","90","","813.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O10 -","- C8 H8 N14 O10 -","- C16 H16 N28 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1322","0.0606","","","0.0982","0.1195","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231062","28.666","0.003","4.5532","0.0005","14.061","0.0016","90","","95.658","0.004","90","","1826.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N16 O10 -","- C9 H10 N16 O10 -","- C36 H40 N64 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1185","0.0629","","","0.1186","0.1414","","","","","","1.051","","","","has coordinates,has disorder","229080","2020-10-21","18:00:00",""
"7231063","7.0523","0.0007","19.0738","0.0019","9.4159","0.0012","90","","111.758","0.004","90","","1176.3","0.2","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N22 O10 -","- C12 H16 N22 O10 -","- C24 H32 N44 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0868","0.0486","","","0.0865","0.0978","","","","","","1.043","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231072","8.42518","0.00012","8.39871","0.00016","20.2469","0.0003","90","","91.5852","0.0013","90","","1432.14","0.04","150.04","0.1","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.0628","0.0587","","","0.1684","0.1727","","","","","","1.03","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231073","8.4668","0.0007","8.4576","0.0008","20.568","0.002","90","","90.676","0.009","90","","1472.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.119","0.0649","","","0.1692","0.2091","","","","","","1.064","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231077","13.436","0.003","19.819","0.003","13.591","0.003","90","","118.29","0.02","90","","3186.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl3 N7 O3 -","- C30 H36 Cl3 N7 O3 -","- C120 H144 Cl12 N28 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3471","0.1065","","","0.155","0.2133","","","","","","1.106","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231078","16.7927","0.0012","21.2995","0.0013","14.8349","0.0006","90","","90","","90","","5306.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H72 Br Cl3 N8 O3 -","- C46 H72 Br Cl3 N8 O3 -","- C184 H288 Br4 Cl12 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2022","0.0901","","","0.1589","0.2352","","","","","","0.836","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231079","8.9493","0.0005","22.5028","0.0014","25.721","0.002","90","","90.732","0.006","90","","5179.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 Br3 F N8 O3 -","- C46 H72 Br3 F N8 O3 -","- C184 H288 Br12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1567","0.0677","","","0.1564","0.2007","","","","","","1.103","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231080","15.372","0.006","21.983","0.006","26.797","0.009","90","","92.632","0.01","90","","9046","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Br6 F6 N14 O6 Si -","- C60 H70 Br6 F6 N14 O6 Si -","- C240 H280 Br24 F24 N56 O24 Si4 -","4","0.5","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3126","0.0927","","","0.209","0.2246","","","","","","1.101","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231081","13.6203","0.0007","16.4617","0.0006","25.0998","0.0013","108.871","0.004","95.521","0.004","91.523","0.004","5290.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H143 Cl6 N16 O10 S -","- C92 H143 Cl6 N16 O10 S -","- C184 H286 Cl12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2075","0.0964","","","0.2502","0.312","","","","","","1.173","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231082","19.3717","0.0013","22.5639","0.0014","19.5218","0.001","90","","92.14","0.006","90","","8527","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C77 H110 Cl6 N16 O9 -","- C77 H110 Cl6 N16 O9 -","- C308 H440 Cl24 N64 O36 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2546","0.0973","","","0.1486","0.2015","","","","","","1.161","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231083","13.738","0.002","16.583","0.003","25.631","0.004","108.151","0.015","97.637","0.012","93.047","0.014","5471.6","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H144 Br6 N16 O10 S -","- C92 H144 Br6 N16 O10 S -","- C184 H288 Br12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1626","0.099","","","0.2657","0.3247","","","","","","1.193","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231084","13.5642","0.0008","29.3201","0.0014","17.5854","0.0014","90","","109.811","0.008","90","","6579.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 N7 O3 -","- C30 H36 Br3 N7 O3 -","- C240 H288 Br24 N56 O24 -","8","2","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2589","0.0703","","","0.141","0.2393","","","","","","0.884","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231085","16.6856","0.0013","21.5029","0.0018","14.7395","0.0013","90","","90","","90","","5288.4","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H71 Cl4 N8 O3 -","- C46 H71 Cl4 N8 O3 -","- C184 H284 Cl16 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1871","0.0956","","","0.1837","0.2218","","","","","","1.19","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231086","19.954","0.003","9.7592","0.0012","7.2875","0.001","90","","90","","90","","1419.1","0.3","173","0.1","173","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0582","0.0449","","","0.099","0.1091","","","","","","1.059","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231087","12.4512","0.0009","19.7388","0.0014","14.6081","0.0015","90","","90","","90","","3590.3","0.5","172.8","0.3","172.8","0.3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H35 N4 O4 -","- C48 H35 N4 O4 -","- C192 H140 N16 O16 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0847","0.0559","","","0.1299","0.1477","","","","","","1.033","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231088","21.627","0.002","7.3399","0.0007","20.281","0.003","90","","117.943","0.007","90","","2844.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21.7 N2 O6.85 -","- C29 H21.7 N2 O6.85 -","- C116 H86.8 N8 O27.4 -","4","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1492","0.0821","","","0.2051","0.2523","","","","","","0.992","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231089","7.1365","0.0009","22.3829","0.0014","30.1328","0.0015","90","","90","","90","","4813.3","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1141","0.0593","","","0.1003","0.1224","","","","","","1.005","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231090","13.1102","0.0005","14.3955","0.0006","30.2012","0.0014","90","","90","","90","","5699.8","0.4","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C31 H25.5 N2.5 O7 -","- C31 H23 N2.5 O7 -","- C248 H184 N20 O56 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1011","0.068","","","0.1947","0.2262","","","","","","1.035","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231091","52.2362","0.0018","7.4175","0.0003","32.1601","0.0012","90","","104.831","0.004","90","","12045.7","0.8","200.05","0.1","200.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H55.5 N6 O10.75 -","- C72 H55.5 N6 O10.75 -","- C576 H444 N48 O86 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0938","0.0655","","","0.1671","0.1859","","","","","","1.052","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231092","28.5523","0.0008","28.5523","0.0008","28.3085","0.001","90","","90","","120","","19986.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","poly-{[tris(mu7-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':k2O'''',O''''':kO'''':kO''''')bis(mu9-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO:kO':kO'':kO'':kO''':kO'''':kO'''':kO''''')(mu6-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':kO'''':kO''''')nonakis(dimethylformamide)octadecacalcium(II)] heneicosa(dimetylfomramide)}","","- C84 H100 Ca3 N10 O22 -","- C66 H58 Ca3 N4 O16 -","- C594 H522 Ca27 N36 O144 -","9","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0933","0.0637","","","0.1558","0.1697","","","","","","0.991","","","","has coordinates","228950","2020-10-21","18:00:00",""
"7231093","10.8141","0.0012","10.8141","0.0012","10.244","0.002","90","","90","","120","","1037.5","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","","poly-[(mu5-2-amino-1,4-benzenedicarboxylate -kO:k2O,O':kO':k2O'',O''':kO'')(dimethylformamide)barium(II)]","","- C11 H12 Ba N2 O5 -","- C11 H5 Ba N2 O5 -","- C33 H15 Ba3 N6 O15 -","3","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0386","0.0359","","","0.074","0.0759","","","","","","1.041","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231094","12.54","0.005","6.683","0.005","19.46","0.005","90","","116.17","0.02","90","","1463.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly-{[diaqua(mu-1,4-benzenedicarboxylate-k2O,O':k2O'',O''')(mu6-1,4-benzenedicarboxylate-?O:?2O,O':?O':?O'':?2O'',O''':?O''' ) bis(dimethylformamide)dicalcium(II)] tetrahydrate}","","- C11 H17 Ca N O8 -","- C11 H13 Ca N O6 -","- C44 H52 Ca4 N4 O24 -","4","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0581","0.0502","","","0.1472","0.1543","","","","","","1.061","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231102","21.5521","0.0008","7.4568","0.0003","11.8391","0.0005","90","","97.832","0.002","90","","1884.91","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O S3 -","- C17 H18 N4 O S3 -","- C68 H72 N16 O4 S12 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0564","0.0525","","","0.1455","0.1492","","","","","","1.043","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231103","13.212","0.0012","8.2301","0.0008","28.449","0.002","90","","95.856","0.006","90","","3077.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C128 H112 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1091","0.0966","","","0.2433","0.2531","","","","","","1.039","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231104","8.4909","0.0002","10.4575","0.0002","17.7945","0.0004","90","","100.289","0.001","90","","1554.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0393","0.0357","","","0.0937","0.0961","","","","","","1.035","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231105","6.7644","0.0005","7.2881","0.0005","21.7998","0.0015","92.975","0.003","93.114","0.002","101.098","0.003","1050.93","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br N4 O3 Re S2 -","- C19 H14 Br N4 O3 Re S2 -","- C38 H28 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0325","0.0288","","","0.0717","0.0739","","","","","","1.054","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231106","13.674","0.0003","10.4643","0.0002","19.2746","0.0004","90","","110.406","0.001","90","","2584.9","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N4 O3 Re S2 -","- C25 H18 Cl N4 O3 Re S2 -","- C100 H72 Cl4 N16 O12 Re4 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0303","0.0285","","","0.0775","0.08","","","","","","1.002","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231107","7.658","0.003","8.649","0.003","16.281","0.011","90.16","0.03","97.44","0.04","99.22","0.02","1055.2","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C38 H28 Cl2 N8 O6 Re2 S4 -","8","4","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0229","0.0211","","","0.0534","0.0546","","","","","","1.061","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231108","10.2951","0.0008","16.0225","0.0016","13.4259","0.0011","90","","104.251","0.006","90","","2146.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br0 N8 O6 Re2 S4 -","- C40 H30 N8 O6 Re2 S4 -","- C80 H60 N16 O12 Re4 S8 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0903","0.0461","","","0.0922","0.1031","","","","","","0.907","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231109","7.0142","0.001","10.5833","0.0015","26.777","0.004","90","","92.457","0.008","90","","1985.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O2 S2 -","- C19 H22 N4 O2 S2 -","- C76 H88 N16 O8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0982","0.0768","","","0.2154","0.2405","","","","","","1.072","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231110","11.1685","0.0011","11.8169","0.0012","14.2696","0.0015","67.082","0.004","69.126","0.003","83.278","0.004","1620.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Br N4 O3 Re S2 -","- C32 H26 Br N4 O3 Re S2 -","- C64 H52 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0296","0.0263","","","0.0665","0.0688","","","","","","1.082","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231111","8.6134","0.0003","11.6521","0.0005","12.9674","0.0005","65.0899","0.0012","83.9903","0.0015","89.3394","0.0018","1173.13","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br N4 O5 Re S -","- C20 H16 Br N4 O5 Re S -","- C40 H32 Br2 N8 O10 Re2 S2 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0353","0.0344","","","0.1029","0.1047","","","","","","1.146","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231112","7.0286","0.0003","7.2375","0.0003","21.0132","0.0009","93.789","0.003","96.875","0.002","116.45","0.003","941.55","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C36 H40 N8 O4 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1158","0.0622","","","0.1508","0.185","","","","","","1.016","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231113","24.5508","0.0005","4.84793","0.00009","31.325","0.0006","90","","106.774","0.0009","90","","3569.69","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 S2 -","- C17 H16 N4 S2 -","- C136 H128 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0419","0.0376","","","0.1276","0.1417","","","","","","0.617","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231114","7.6843","0.0002","12.5075","0.0003","16.6105","0.0004","72.8951","0.0007","82.2567","0.0008","83.5158","0.001","1507.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","1","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.033","0.0293","","","0.0732","0.075","","","","","","1.078","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231115","15.0539","0.001","17.4103","0.0012","20.9041","0.0014","74.153","0.004","73.586","0.004","88.641","0.004","5047.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H33 N8 O6.5 Re2 S4 -","- C48 H30 N8 O6 Re2 S4 -","- C192 H120 N32 O24 Re8 S16 -","4","2","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1513","0.1087","","","0.282","0.3034","","","","","","1.106","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231116","9.8797","0.0009","15.051","0.0013","18.02","0.0017","90","","96.779","0.003","90","","2660.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl0 N8 O8 Re2 S2 -","- C50 H34 N8 O8 Re2 S2 -","- C100 H68 N16 O16 Re4 S4 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0569","0.0461","","","0.0827","0.0852","","","","","","1.212","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231117","10.5694","0.0007","14.1822","0.001","20.5737","0.0014","90","","98.892","0.003","90","","3046.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O8 Re2 S2 -","- C26 H24 N4 O8 Re2 S2 -","- C104 H96 N16 O32 Re8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0435","0.0394","","","0.1091","0.1146","","","","","","1.062","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231118","10.3658","0.0015","10.1221","0.0015","38.934","0.005","90","","94.518","0.006","90","","4072.4","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N8 O6 Re2 S4 -","- C38 H26 N8 O6 Re2 S4 -","- C152 H104 N32 O24 Re8 S16 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0374","0.0336","","","0.0948","0.0979","","","","","","1.002","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231121","12.0843","0.0006","19.092","0.0009","20.1439","0.001","90","","91.114","0.002","90","","4646.6","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H36 Co2 N8 O13 -","- C47 H36 Co2 N8 O13 -","- C188 H144 Co8 N32 O52 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.1127","0.0656","","","0.1122","0.1294","","","","","","1.09","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231122","13.2168","0.0005","13.4274","0.0005","13.7151","0.0005","74.321","0.001","70.086","0.001","61.743","0.001","1998.2","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H35 Cd2 N6 O12 -","- C44 H35 Cd2 N6 O12 -","- C88 H70 Cd4 N12 O24 -","2","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0398","0.0356","","","0.0966","0.0993","","","","","","1.064","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231123","13.928","0.005","22.935","0.008","21.219","0.006","90","","107.49","0.02","90","","6465","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140 H98 Mn5 N16 O46 -","- C140 H98 Mn5 N16 O46 -","- C280 H196 Mn10 N32 O92 -","2","0.5","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.107","0.0634","","","0.1741","0.2025","","","","","","1.032","","","","has coordinates,has disorder","228946","2020-10-21","18:00:00",""
"7231124","25.7978","0.0013","14.0191","0.0005","26.2388","0.0009","90","","114.875","0.003","90","","8609.2","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C164 H128 Cd8 N24 O54 -","- C164 H128 Cd8 N24 O54 -","- C328 H256 Cd16 N48 O108 -","2","0.25","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0827","0.0587","","","0.1533","0.1667","","","","","","1.041","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231125","11.051","0.0004","29.4197","0.0011","10.4787","0.0004","90","","97.215","0.001","90","","3379.8","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cd2 N4 O11 -","- C37 H26 Cd2 N4 O11 -","- C148 H104 Cd8 N16 O44 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0652","0.0398","","","0.0844","0.0927","","","","","","1.02","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231126","9.6","0.0004","9.86","0.0004","37.7277","0.0017","90","","90","","90","","3571.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br3 Dy N6 O8 -","- C30 H34 Br3 Dy N6 O8 -","- C120 H136 Br12 Dy4 N24 O32 -","4","1","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0654","0.0451","","","0.0504","0.0534","","","","","","1.085","","","","has coordinates","228924","2020-10-21","18:00:00",""
"7231127","18.0243","0.0008","10.3625","0.0004","20.7752","0.0009","90","","107.417","0.002","90","","3702.4","0.3","166","2","166","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl2 Dy N7 O17 -","- C30 H30 Cl2 Dy N7 O17 -","- C120 H120 Cl8 Dy4 N28 O68 -","4","2","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0471","0.0535","","","","","","1.033","","","","has coordinates,has disorder","228924","2020-10-21","18:00:00",""
"7231128","6.866","0.004","23.629","0.015","10.181","0.006","90","","107.96","0.02","90","","1571.2","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl6 Cu N4 O0.5 Re -","- C8 H6 Cl6 Cu N4 O0.5 Re -","- C32 H24 Cl24 Cu4 N16 O2 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0422","0.0373","","","0.125","0.1287","","","","","","1.023","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231129","6.8596","0.0002","24.0998","0.0009","12.4418","0.0005","90","","102.665","0.002","90","","2006.77","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br2 Cl7 Cu N4 Re -","- C9 H7 Br2 Cl7 Cu N4 Re -","- C36 H28 Br8 Cl28 Cu4 N16 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0346","0.0312","","","0.0932","0.0948","","","","","","1.181","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231133","19.385","0.002","21.884","0.002","9.657","0.002","90","0","90","0","90","0","4096.7","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 N O5 -","- C50 H49 N O5 -","- C200 H196 N4 O20 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.066","","","","0.059","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231134","9.453","0.003","40.907","0.005","9.917","0.003","90","","91.57","0.02","90","","3833.4","1.7","248","","248","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H47 N O6 -","- C45 H47 N O6 -","- C180 H188 N4 O24 -","4","2","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","1.54184","CuKα","","0.049","0.041","","","","0.122","","","","","","1.05","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231135","5.51895","0.00007","15.5145","0.0002","22.2271","0.0003","90","","94.4499","0.0012","90","","1897.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43.95 B N5 O10 -","- C41 H43.95 B N5 O10 -","- C82 H87.9 B2 N10 O20 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1029","0.1045","","","","","","1.042","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231136","30.9663","0.0009","13.3119","0.0004","7.0955","0.0003","90","","93.965","0.003","90","","2917.91","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 B N5 O8 -","- C32 H32 B N5 O8 -","- C128 H128 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0485","0.0425","","","0.1147","0.117","","","","","","1.043","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231137","28.62","0.0011","5.25819","0.00014","28.609","0.0009","90","","113.834","0.004","90","","3938.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H42 B N5 O8 -","- C41 H42 B N5 O8 -","- C164 H168 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0396","0.0364","","","0.095","0.0972","","","","","","1.039","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231138","18.536","0.004","23.101","0.003","8.508","0.003","90","","90","","90","","3643.1","1.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H45 N O6 -","- C176 H180 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","0.186","0.06","","","","0.125","","","","","","1.07","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231139","18.496","0.004","23.466","0.004","8.523","0.005","90","","90","","90","","3699","2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H41.8 N O6 -","- C176 H167.2 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.113","","","","0.154","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231140","5.5624","0.00009","19.1848","0.0003","16.7363","0.0003","90","","95.1248","0.0015","90","","1778.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H42 B N5 O8 -","- C36.9999 H41.9997 B N5 O8 -","- C73.9998 H83.9994 B2 N10 O16 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0322","0.03","","","0.0702","0.0714","","","","","","1.011","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231141","8.4955","0.0014","27.439","0.004","16.401","0.002","90","","95.394","0.005","90","","3806.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.3528","0.1526","","","0.3991","0.5001","","","","","","1.096","","","","has coordinates,has disorder","228969","2020-10-21","18:00:00",""
"7231142","8.4607","0.001","27.278","0.003","16.4849","0.0019","90","","95.116","0.003","90","","3789.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.2795","0.104","","","0.2785","0.3753","","","","","","0.96","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231143","8.2378","0.0007","16.8515","0.001","27.139","0.002","90","","97.961","0.005","90","","3731.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.119","0.0628","","","0.1501","0.1994","","","","","","1.065","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231144","8.3729","0.0005","15.8749","0.001","27.9083","0.0016","90","","94.283","0.004","90","","3699.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(1-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.2174","0.0924","","","0.2383","0.3357","","","","","","0.936","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231145","22.4072","0.0006","8.3342","0.0003","12.0143","0.0004","90","","90.452","0.002","90","","2243.55","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.048","0.0434","","","0.1222","0.1259","","","","","","1.112","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231146","12.212","0.005","14.092","0.005","16.78","0.006","90","","95.617","0.009","90","","2873.8","1.9","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H24 Co N4 O4 S -","- C25 H24 Co N4 O4 S -","- C100 H96 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.1463","0.0966","","","0.2684","0.3101","","","","","","1.073","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231147","11.3482","0.0004","18.4529","0.0007","14.3356","0.0005","90","","96.578","0.007","90","","2982.22","0.19","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Co N6 O7 S -","- C30 H27 Co N6 O7 S -","- C120 H108 Co4 N24 O28 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.70932","","","0.0736","0.0538","","","0.0985","0.1048","","","","","","1.121","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231148","11.5511","0.0006","8.067","0.0005","29.2049","0.0015","90","","99.972","0.003","90","","2680.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C124 H96 Co4 N24 O20 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0789","0.0743","","","0.2239","0.2332","","","","","","1.051","","","","has coordinates","229142","2020-10-21","18:00:00",""
"7231149","22.37","0.004","12.624","0.003","15.05","0.003","90","","125.507","0.002","90","","3459.8","1.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H28 Co N4 O4 S -","- C41 H28 Co N4 O4 S -","- C164 H112 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0557","0.0511","","","0.1424","0.1461","","","","","","1.09","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231150","7.4917","0.0003","10.1964","0.0005","10.7392","0.0005","87.751","0.002","88.834","0.002","83.063","0.002","813.62","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0227","0.0218","","","0.0585","0.0592","","","","","","1.031","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231151","7.5057","0.0003","10.1962","0.0004","10.7404","0.0004","87.714","0.001","88.893","0.002","83.112","0.002","815.29","0.05","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0232","0.022","","","0.0586","0.0593","","","","","","1.08","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231152","7.4983","0.0004","10.1975","0.0005","10.7404","0.0005","87.741","0.002","88.851","0.002","83.088","0.002","814.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0234","0.0222","","","0.0576","0.0584","","","","","","1.067","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231153","7.5903","0.0003","10.1829","0.0005","10.727","0.0005","87.424","0.002","89.206","0.002","83.038","0.002","822.13","0.06","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0253","0.0232","","","0.062","0.0632","","","","","","1.073","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231154","7.5714","0.0003","10.1868","0.0004","10.7325","0.0004","87.5","0.002","89.133","0.002","83.101","0.002","820.96","0.06","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0258","0.0238","","","0.0641","0.0654","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231155","7.6514","0.0004","10.1654","0.0005","10.7076","0.0005","87.165","0.002","89.37","0.002","82.714","0.002","825.09","0.07","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0287","0.0248","","","0.0667","0.07","","","","","","1.078","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231156","7.5146","0.0003","10.1954","0.0005","10.7392","0.0005","87.694","0.002","88.929","0.002","83.133","0.002","816.13","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0236","0.0222","","","0.0593","0.0602","","","","","","1.074","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231157","7.6329","0.0003","10.1735","0.0005","10.7153","0.0004","87.25","0.002","89.324","0.002","82.838","0.002","824.62","0.06","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0271","0.0243","","","0.0665","0.0681","","","","","","1.129","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231158","7.6121","0.0004","10.1784","0.0005","10.7213","0.0005","87.353","0.002","89.26","0.002","82.962","0.002","823.51","0.07","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0259","0.0235","","","0.0649","0.0664","","","","","","1.089","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231159","7.5387","0.0003","10.1927","0.0004","10.7387","0.0004","87.619","0.001","89.025","0.002","83.164","0.002","818.52","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0244","0.0227","","","0.061","0.062","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231160","7.5253","0.0003","10.195","0.0005","10.7396","0.0005","87.661","0.002","88.969","0.002","83.149","0.002","817.31","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0241","0.0226","","","0.0606","0.0613","","","","","","1.07","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231161","7.5544","0.0004","10.1904","0.0005","10.7369","0.0005","87.569","0.002","89.073","0.002","83.151","0.002","819.86","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.025","0.0233","","","0.0629","0.0638","","","","","","1.086","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231174","11.31549","0.00016","9.66903","0.00015","9.86401","0.00015","90","","96.4687","0.0013","90","","1072.35","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","0.5","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","","1.54187","CuKα","","0.0528","0.0497","","","0.1383","0.1424","","","","","","1.07","","","","has coordinates","229115","2020-10-21","18:00:00",""
"7231175","9.7334","0.0002","9.9244","0.0002","12.491","0.0003","89.585","0.002","69.561","0.002","67.774","0.002","1035.74","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","1","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1185","0.1215","","","","","","1.059","","","","has coordinates,has disorder","229115","2020-10-21","18:00:00",""
"7231176","10.986","0.0004","21.7326","0.0007","8.8856","0.0004","90","","108.941","0.004","90","","2006.6","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N14 O4 Pb2 -","- C38 H34 N14 O4 Pb2 -","- C76 H68 N28 O8 Pb4 -","2","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","1.5418","CuKα","","0.0854","0.0721","","","0.1757","0.1875","","","","","","0.999","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231177","9.2807","0.0013","10.2962","0.0015","10.9703","0.0013","103.736","0.002","105.229","0.003","102.2","0.002","939.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N4 O2 Pb -","- C18 H15 Br N4 O2 Pb -","- C36 H30 Br2 N8 O4 Pb2 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.033","0.0294","","","0.067","0.0703","","","","","","1.145","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231178","9.7763","0.0006","11.3341","0.0007","15.058","0.001","105.607","0.007","91.747","0.006","101.222","0.006","1570.19","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","1","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0577","0.0509","","","0.1336","0.1367","","","","","","1.003","","","","has coordinates,has disorder","229140","2020-10-21","18:00:00",""
"7231179","9.0368","0.0007","11.3777","0.001","7.6503","0.0006","90","","112.279","0.004","90","","727.87","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 N6 Pb S3 -","- C10 H10 N6 Pb S3 -","- C20 H20 N12 Pb2 S6 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","x-ray","0.7107","MoKα","","0.0229","0.0217","","","0.0461","0.0467","","","","","","1.05","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231180","10.3837","0.0002","11.5738","0.0003","14.337","0.0003","95.216","0.001","90.12","0.001","113.736","0.001","1569.31","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 N8 O3 Pb S2 -","- C29 H24 N8 O3 Pb S2 -","- C58 H48 N16 O6 Pb2 S4 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0569","0.0388","","","0.0823","0.09","","","","","","1.025","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231181","9.3083","0.0002","10.4819","0.0002","22.1487","0.0004","90","","96.098","0.002","90","","2148.79","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Co1.5 N3 O7 -","- C19 H12 Co1.5 N3 O7 -","- C76 H48 Co6 N12 O28 -","4","1","","Zhou, Wei; Wu, Ya-Pan; Wang, Xiao; Tian, Jun-Wu; Huang, Dan-Dan; Zhao, Jun; Lan, Ya-Qian; Li, Dong-Sheng","Improved conductivity of a new Co(ii)-MOF by assembled acetylene black for efficient hydrogen evolution reaction","CrystEngComm","2018","20","33","4804","","10.1039/C8CE00921J","","x-ray","1.54184","CuKα","","0.067","0.0612","","","0.162","0.1668","","","","","","1.057","","","","has coordinates","228949","2020-10-21","18:00:00",""
"7231182","26.906","0.004","7.5367","0.0009","17.21","0.002","90","","92.375","0.004","90","","3486.9","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cd N6 O12 -","- C38 H24 Cd N6 O12 -","- C152 H96 Cd4 N24 O48 -","4","0.5","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0742","0.044","","","0.0873","0.0975","","","","","","0.99","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231183","7.8706","0.001","10.2356","0.0013","19.467","0.003","90.351","0.002","94.25","0.002","111.416","0.002","1455","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H15 Cd N6 O10 -","- C31 H15 Cd N6 O10 -","- C62 H30 Cd2 N12 O20 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.029","0.0263","","","0.0697","0.0709","","","","","","1.061","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231184","10.1261","0.0007","13.8772","0.0009","14.7762","0.001","88.202","0.001","72.861","0.001","71.667","0.001","1879.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Cd N7 O11 -","- C37 H24 Cd N7 O11 -","- C74 H48 Cd2 N14 O22 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0412","0.0362","","","0.1005","0.1031","","","","","","1.031","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231197","7.5242","0.0003","7.9258","0.0003","19.5829","0.0008","90","","90","","90","","1167.83","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0332","0.0291","","","0.0682","0.0699","","","","","","1.054","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231198","7.5194","0.0003","7.9248","0.0003","19.5768","0.0008","90","","90","","90","","1166.58","0.08","293","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0185","0.0169","","","0.0352","0.0356","","","","","","1.032","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231199","7.45","0.002","27.279","0.005","27.574","0.005","82.32","0.02","88.01","0.02","89.19","0.02","5550","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H29 N O11 P3 -","- C8 H29 N O11 P3 -","- C96 H348 N12 O132 P36 -","12","6","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0697","0.0562","","","0.1748","0.2005","","","","","","1.031","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231200","20.084","0.006","14.699","0.004","16.117","0.005","90","","108.06","0.03","90","","4524","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N O7.5 P2.5 -","- C16 H40 N O7.5 P2.5 -","- C128 H320 N8 O60 P20 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0645","0.0421","","","0.0919","0.1018","","","","","","1.039","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231201","14.764","0.003","17.203","0.004","19.266","0.005","73.32","0.03","88.05","0.02","89.94","0.02","4684","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41.05 N O8.02 P2.5 -","- C16 H41 N O8.029 P2.5 -","- C128 H328 N8 O64.232 P20 -","8","4","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0889","0.0547","","","0.1148","0.1299","","","","","","1.017","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231202","7.582","0.003","8.718","0.003","12.892","0.004","75.28","0.03","80.42","0.03","70.98","0.03","775.9","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Cl N O6 P -","- C8 H28 Cl N O6 P -","- C16 H56 Cl2 N2 O12 P2 -","2","1","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0597","0.0524","","","0.1428","0.1498","","","","","","1.069","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231203","8.898","0.002","8.964","0.002","9.226","0.003","78.96","0.02","66.16","0.03","79.15","0.02","655.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","1","0.5","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0557","0.0492","","","0.1325","0.1398","","","","","","1.065","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231204","10.781","0.002","15.964","0.003","31.201","0.006","90","","99.6","0.02","90","","5294.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H42 N O10.5 P3.5 -","- C16 H42 N O10.5 P3.5 -","- C128 H336 N8 O84 P28 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0992","0.0597","","","0.131","0.1504","","","","","","1.006","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231205","7.43953","0.00014","20.7625","0.0004","8.8754","0.00015","90","","102.766","0.0018","90","","1337.03","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0477","0.0423","","","0.1195","0.1252","","","","","","1.072","","","","has coordinates","229084","2020-10-21","18:00:00",""
"7231206","25.1697","0.0004","7.1655","0.0001","16.6823","0.0002","90","","90","","90","","3008.71","0.07","296","1","296","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C27 H19 Co N O5.5 -","- C27 H19 Co N O5.5 -","- C108 H76 Co4 N4 O22 -","4","0.25","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0591","0.0535","","","0.1631","0.1712","","","","","","1.07","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231207","16.59874","0.00019","7.14697","0.00012","50.2201","0.0008","90","","90","","90","","5957.65","0.15","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H38 Mg2 N2 O10 -","- C54 H38 Mg2 N2 O10 -","- C216 H152 Mg8 N8 O40 -","4","0.5","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0819","0.0772","","","0.2424","0.2474","","","","","","1.064","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231210","10.8799","0.0006","13.3677","0.0007","13.9345","0.0008","62.953","0.003","68.018","0.003","82.371","0.003","1672.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-bromophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C32 H38 Br2 N4 O4 -","- C32 H38 Br2 N4 O4 -","- C64 H76 Br4 N8 O8 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.124","0.0553","","","0.1291","0.1531","","","","","","1.034","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231211","26.04","0.003","9.0972","0.0011","13.8867","0.0019","90","","91.957","0.01","90","","3287.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazole-Br","'ethyl 1 tert-butyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C128 H152 Br8 N16 O16 -","8","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0335","0.0319","","","0.0843","0.0855","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231212","9.077","0.002","6.9098","0.0015","13.708","0.002","90","","107.735","0.007","90","","818.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,5-pirazole-Cl","'ethyl 1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","0.5","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0681","0.0443","","","0.1127","0.1257","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231213","8.0704","0.0009","10.6122","0.0013","17.698","0.004","90","","93.13","0.011","90","","1513.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Ph-pyrazole","'ethyl-5-(phenyl)-1-(t-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","1.54178","CuKα","","0.077","0.0725","","","0.1928","0.1967","","","","","","1.052","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231214","6.9381","0.0007","18.463","0.003","12.6","0.002","90","","103.702","0.01","90","","1568.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrazole 1,3 F","'ethyl 1-(t-butil)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C64 H76 F4 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0516","0.0438","","","0.1194","0.1264","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231215","8.5662","0.0003","8.9965","0.0003","10.0893","0.0004","92.86","0.002","100.776","0.002","91.266","0.002","762.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 1 tert-butyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C32 H38 F2 N4 O4 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0474","0.0394","","","0.126","0.143","","","","","","0.636","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231216","10.9637","0.0005","13.2546","0.0006","13.9344","0.0006","62.661","0.002","67.366","0.002","81.873","0.003","1658.68","0.13","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-clorophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","0.71073","MoKα","","0.1641","0.0707","","","0.1897","0.2439","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231217","8.9","0.005","8.307","0.004","19.352","0.011","90","","91.44","0.02","90","","1430.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pirazol-1,5-Ph","'ethyl 3-(phenyl)-1-(t-butyl)1H-pyrazole-5-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0557","0.0417","","","0.0993","0.1061","","","","","","1.04","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231226","23.9553","0.0012","13.6376","0.0007","18.6167","0.001","90","","111.831","0.002","90","","5645.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 La2 N4 O15 -","- C66 H40 La2 N4 O15 -","- C264 H160 La8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0721","0.0385","","","0.0671","0.0794","","","","","","1.059","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231227","13.0373","0.0012","22.5614","0.0019","19.432","0.0017","90","","90.949","0.001","90","","5714.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Eu2 N4 O15 -","- C66 H40 Eu2 N4 O15 -","- C264 H160 Eu8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0833","0.0409","","","0.0543","0.0613","","","","","","0.869","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231228","13.0186","0.0011","22.5402","0.0018","19.4272","0.0016","90","","90.845","0.003","90","","5700.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 N4 O15 Tb2 -","- C66 H40 N4 O15 Tb2 -","- C264 H160 N16 O60 Tb8 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0703","0.0379","","","0.0722","0.0875","","","","","","1.04","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231229","13.0264","0.0006","22.5481","0.0009","19.4308","0.0008","90","","90.919","0.002","90","","5706.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Gd2 N4 O15 -","- C66 H40 Gd2 N4 O15 -","- C264 H160 Gd8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0666","0.0379","","","0.0795","0.0945","","","","","","1.02","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231232","7.8831","0.0004","14.6869","0.0008","14.5239","0.0008","102.504","0.002","100.89","0.002","92.406","0.002","1606.07","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Co N4 O4 -","- C36 H26 Cl4 Co N4 O4 -","- C72 H52 Cl8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0559","0.0397","","","0.0945","0.1036","","","","","","1.034","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231233","7.3112","0.0007","7.7033","0.0007","13.0401","0.0012","79.183","0.003","86.649","0.003","88.692","0.003","720.09","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0478","0.0338","","","0.0795","0.085","","","","","","1.069","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231234","7.8598","0.0004","14.7496","0.0009","14.7874","0.0008","102.704","0.002","101.054","0.002","93.104","0.002","1632.97","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Hg N4 O4 -","- C36 H26 Cl4 Hg N4 O4 -","- C72 H52 Cl8 Hg2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0553","0.0485","","","0.101","0.1047","","","","","","1.047","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231235","7.9049","0.001","14.7046","0.0018","14.5448","0.0019","102.479","0.006","100.932","0.006","92.276","0.006","1615","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 N4 O4 Zn -","- C36 H26 Cl4 N4 O4 Zn -","- C72 H52 Cl8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.09","0.0717","","","0.1704","0.1786","","","","","","1.101","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231236","7.933","0.002","14.728","0.004","14.966","0.005","102.65","0.01","100.863","0.009","93.145","0.009","1667.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Co N4 O4 -","- C36 H26 Br4 Co N4 O4 -","- C72 H52 Br8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.082","0.0458","","","0.1176","0.1303","","","","","","1.029","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231237","7.766","0.0006","55.312","0.004","7.4689","0.0005","90","","91.983","0.002","90","","3206.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 Cu N4 O4 -","- C36 H26 Cl4 Cu N4 O4 -","- C144 H104 Cl16 Cu4 N16 O16 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0919","0.0696","","","0.121","0.1264","","","","","","1.263","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231238","13.5398","0.0016","7.7569","0.0009","15.201","0.0017","90","","112.641","0.003","90","","1473.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0233","0.0208","","","0.0542","0.0554","","","","","","1.043","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231239","7.8678","0.0007","14.7568","0.0013","14.8082","0.0013","102.75","0.004","100.866","0.004","93.071","0.004","1638.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cd Cl4 N4 O4 -","- C36 H26 Cd Cl4 N4 O4 -","- C72 H52 Cd2 Cl8 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.062","0.0363","","","0.0692","0.0767","","","","","","1.025","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231240","7.67","0.0004","7.6942","0.0005","28.269","0.0019","87.564","0.003","89.895","0.002","89.559","0.002","1666.72","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Cu N4 O4 -","- C36 H26 Br4 Cu N4 O4 -","- C72 H52 Br8 Cu2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0717","0.055","","","0.131","0.1372","","","","","","1.06","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231241","7.9152","0.0003","14.7377","0.0006","14.9796","0.0006","102.541","0.001","100.913","0.001","93.439","0.001","1665.52","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 N4 O4 Zn -","- C36 H26 Br4 N4 O4 Zn -","- C72 H52 Br8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0364","0.0299","","","0.0776","0.0814","","","","","","1.062","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231245","12.509","0.003","13.689","0.003","14.613","0.003","94.72","0.03","115.28","0.03","114.86","0.03","1945.6","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C72 H75 Cl8 Cu4 N12 O13.5 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.63","synchrotron","","0.1008","0.0644","","","0.17","0.191","","","","","","1.178","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231246","9.263","0.003","11.838","0.004","17.404","0.006","85.27","0.012","89.651","0.012","86.12","0.012","1897.6","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl4 Cu2 N6 O2 -","- C38 H32 Cl4 Cu2 N6 O2 -","- C76 H64 Cl8 Cu4 N12 O4 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0955","0.0726","","","0.1798","0.1939","","","","","","1.214","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231247","9.081","0.005","10.926","0.006","12.055","0.007","113.957","0.018","111.576","0.017","91.514","0.016","994.5","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","1","0.5","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0755","0.058","","","0.1398","0.1506","","","","","","1.048","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231248","8.9606","0.0005","20.9052","0.0013","20.0946","0.001","90","","91.24","0.002","90","","3763.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C156 H124 Cl16 Cu8 N28 O4 -","8","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.056","0.0372","","","0.0659","0.0722","","","","","","1.07","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231249","10.2461","0.0001","14.3724","0.0002","29.2362","0.0004","81.57","0.002","88.939","0.001","82.321","0.003","4220.64","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0529","0.0307","","","0.0558","0.0621","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231250","10.2483","0.0007","14.4377","0.0009","29.0278","0.0019","81.977","0.002","89.188","0.001","82.246","0.002","4214","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0521","0.0322","","","0.0575","0.0627","","","","","","1.039","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231251","10.234","0.0009","14.4042","0.0018","29.053","0.003","81.864","0.002","89.103","0.001","82.241","0.001","4200.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0489","0.0299","","","0.0603","0.0665","","","","","","1.025","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231252","10.668","0.002","20.152","0.004","23.297","0.005","109.308","0.003","101.972","0.003","93.617","0.003","4576.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H65 N13 O28 S5 U5 -","- C85 H65 N13 O28 S5 U5 -","- C170 H130 N26 O56 S10 U10 -","2","1","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.1064","0.0824","","","0.1996","0.2082","","","","","","1.213","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231253","10.2255","0.0003","14.405","0.0003","29.0078","0.0007","81.949","0.001","89.133","0.003","82.242","0.002","4191.93","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0557","0.0313","","","0.0595","0.0664","","","","","","1.02","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231254","10.2491","0.0003","14.3958","0.0005","29.1628","0.001","81.715","0.001","89.029","0.002","82.284","0.001","4219.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0632","0.0341","","","0.063","0.0717","","","","","","0.998","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231255","10.2216","0.0008","14.4037","0.0011","29.008","0.002","81.961","0.002","89.146","0.001","82.246","0.001","4190.1","0.5","293","2","293","3","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0522","0.0317","","","0.0651","0.0714","","","","","","1.017","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231256","10.407","0.008","14.594","0.011","29.68","0.02","81.683","0.012","88.909","0.014","82.39","0.011","4421","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0437","0.0314","","","0.0718","0.0771","","","","","","1.065","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231257","10.2461","0.0003","14.4076","0.0005","29.1376","0.001","81.788","0.001","89.038","0.001","82.266","0.001","4218.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0546","0.0319","","","0.0584","0.0639","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231258","10.2447","0.0003","14.4393","0.0005","28.987","0.0009","82.023","0.002","89.223","0.001","82.245","0.002","4207.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0401","0.0252","","","0.0499","0.0534","","","","","","1.003","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231259","5.4363","0.0007","10.3418","0.0013","11.8349","0.0017","90","","99.739","0.005","90","","655.78","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0592","0.0422","","","0.0814","0.0875","","","","","","1.034","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231260","5.4205","0.0007","10.3464","0.0013","11.5006","0.0015","90","","99.5","0.004","90","","636.14","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6.47 H7.93 Li0.5 N0.5 O2.47 -","- C6.4665 H7.933 Li0.5 N0.5 O2.4665 -","- C25.866 H31.732 Li2 N2 O9.866 -","4","2","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0503","0.04","","","0.0767","0.0787","","","","","","1.073","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231261","10.1119","0.0018","10.5584","0.0019","11.746","0.002","90","","90","","90","","1254.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.108","0.0664","","","0.1352","0.1516","","","","","","1.063","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231262","10.0666","0.0009","10.5869","0.0008","11.7836","0.0008","90","","90","","90","","1255.83","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8.05 H9.44 Li0.67 N0.67 O2.72 -","- C8.06 H9.45333 Li0.666667 N0.666667 O2.72667 -","- C48.36 H56.72 Li4 N4 O16.36 -","6","1.5","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0497","0.0483","","","0.1282","0.1293","","","","","","1.154","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231263","5.417","0.0003","10.359","0.0006","11.4916","0.0006","90","","99.552","0.001","90","","635.91","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.02","0.0192","","","0.0479","0.0484","","","","","","1.102","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231264","10.0679","0.0005","10.5702","0.0006","11.7537","0.0007","90","","90","","90","","1250.83","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0476","0.045","","","0.1234","0.1268","","","","","","1.114","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231265","9.596","0.007","10.606","0.008","13.967","0.01","76.205","0.009","84.844","0.009","84.742","0.009","1371.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O10 -","- C28 H22 N2 Ni O10 -","- C56 H44 N4 Ni2 O20 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1031","0.0662","","","0.1756","0.1979","","","","","","1.096","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231266","13.498","0.003","15.706","0.004","15.066","0.004","90","","110.796","0.003","90","","2985.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ni O10 -","- C28 H22 N2 Ni O9 -","- C112 H88 N8 Ni4 O36 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1136","0.0857","","","0.2897","0.3175","","","","","","1.181","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231267","10.173","0.006","13.321","0.007","13.327","0.007","72.941","0.005","83.845","0.006","81.978","0.006","1705.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N3 Ni1.5 O11 -","- C34 H27 N3 Ni1.5 O11 -","- C68 H54 N6 Ni3 O22 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.0702","0.048","","","0.1261","0.1432","","","","","","1.055","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231268","15.224","0.006","11.113","0.004","19.333","0.007","90","","108.501","0.005","90","","3102","2","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 N2 Ni2 O11 -","- C28 H21 N2 Ni2 O11 -","- C112 H84 N8 Ni8 O44 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1225","0.066","","","0.1896","0.223","","","","","","1.025","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231269","7.372","0.0015","14.623","0.003","28.356","0.009","90","","90","","90","","3056.8","1.3","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co N4 O8 -","- C30 H32 Co N4 O8 -","- C120 H128 Co4 N16 O32 -","4","1","","Yu, Fan","A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene","CrystEngComm","2018","20","34","5074","","10.1039/C8CE00899J","","","0.71073","MoKα","","0.052","0.0483","","","0.1076","0.1096","","","","","","1.123","","","","has coordinates","229143","2020-10-21","18:00:00",""
"7231272","14.577","0.0005","14.577","0.0005","14.577","0.0005","90","","90","","90","","3097.45","0.18","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C3 Ca Na4 O9 -","- C3 Ca0.9997 Na4.0003 O9 -","- C48 Ca15.9952 Na64.0048 O144 -","16","0.166667","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Arefiev, Anton V.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Na4Ca(CO3)3: a novel carbonate analog of borate optical materials","CrystEngComm","2018","20","35","5228","","10.1039/C8CE00745D","","x-ray","0.71073","MoKα","","0.0671","0.0462","","","0.0927","0.0965","","","","2.87","2.87","2.54","","","","has coordinates","229126","2020-10-21","18:00:00",""
"7231273","24.1738","0.0004","9.45562","0.00019","17.836","0.0003","90","","90","","90","","4076.92","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F3 I3 N2 O -","- C18 H10 F3 I3 N2 O -","- C144 H80 F24 I24 N16 O8 -","8","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0351","0.0247","","","0.0501","0.0539","","","","","","1.039","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231274","5.3298","0.0005","5.9839","0.0004","15.276","0.002","90.196","0.008","93.824","0.009","100.428","0.007","478.02","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","1","0.5","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0621","0.0448","","","0.0896","0.1016","","","","","","0.994","","","","has coordinates,has disorder","229119","2020-10-21","18:00:00",""
"7231275","4.1899","0.0003","29.106","0.002","24.6798","0.0018","90","","92.834","0.007","90","","3006.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 I3 N4 O2 -","- C30 H20 F3 I3 N4 O2 -","- C120 H80 F12 I12 N16 O8 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","x-ray","0.71073","MoKα","","0.0669","0.0465","","","0.0742","0.081","","","","","","1.118","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231276","7.2968","0.0005","15.2068","0.0012","19.3646","0.0015","110.783","0.007","91.701","0.006","100.999","0.006","1960.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","1,2,3,5-tetrafluoro-4,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,2,3,5-tetrafluoro-4,6-diiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F4 I2 N2 O -","- C18 H10 F4 I2 N2 O -","- C72 H40 F16 I8 N8 O4 -","4","2","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0481","0.0323","","","0.0638","0.072","","","","","","1.019","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231277","15.3516","0.0005","5.75781","0.00016","16.8675","0.0006","90","","105.671","0.003","90","","1435.52","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrafluoro-3,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:2 cocrystal","1,2,4,5-tetrafluoro-3,6-diiodobenzene; bis(2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol)","","- C15 H10 F2 I N2 O -","- C15 H10 F2 I N2 O -","- C60 H40 F8 I4 N8 O4 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0433","0.0299","","","0.0622","0.068","","","","","","1.033","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231278","15.1118","0.0004","15.4367","0.0005","40.6572","0.0013","90","","95.516","0.003","90","","9440.4","0.5","173","0.14","173","0.14","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H41 O16.5 Si3 -","- C46 H40 O16.5 Si3 -","- C368 H320 O132 Si24 -","8","2","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","1.54184","CuKα","","0.1005","0.0761","","","0.2181","0.2439","","","","","","1.039","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231279","18.9725","0.0006","19.7061","0.0005","25.3721","0.0005","90","","98.476","0.002","90","","9382.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H100 Mn3 N10 O24 Si3 -","- C74 H100 Mn3 N10 O24 Si3 -","- C296 H400 Mn12 N40 O96 Si12 -","4","0.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","0.71075","MoKα","K-L~3~","0.1112","0.0833","","","0.2471","0.2836","","","","","","1.078","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231280","32.1888","0.0009","13.9804","0.0003","30.8839","0.0008","90","","95.684","0.003","90","","13829.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.25 H67.25 N4.75 O19.75 Si3 Zn3 -","- C46 H33 O16 Si3 Zn3 -","- C368 H264 O128 Si24 Zn24 -","8","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","","1.54184","CuKα","","0.0558","0.0471","","","0.1332","0.1406","","","","","","1.062","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231282","10.557","0.002","17.598","0.004","12.593","0.003","90","","103.25","0.03","90","","2277.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.72","synchrotron","","0.0781","0.0644","","","0.1677","0.1748","","","","","","1.053","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231283","9.915","0.003","10.052","0.003","25.117","0.007","99.939","0.01","96.406","0.01","97.933","0.01","2418.5","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Mn2 N8 O15 -","- C54 H38 Mn2 N8 O15 -","- C108 H76 Mn4 N16 O30 -","2","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.1667","0.0623","","","0.1131","0.1478","","","","","","1.002","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231284","12.39","0.003","16.177","0.003","13.367","0.006","90","","120.16","0.02","90","","2316.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O9 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71","synchrotron","","0.0804","0.0762","","","0.2339","0.2364","","","","","","1.068","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231285","11.8697","0.0009","11.566","0.0009","16.8792","0.0013","90","","101.036","0.003","90","","2274.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.0795","0.0483","","","0.1422","0.1601","","","","","","1.022","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231286","18.1925","0.0005","40.2091","0.0013","9.548","0.0003","90","","90","","90","","6984.4","0.4","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H73 Co3 N14 O20 -","- C58 H73 Co3 N14 O20 -","- C232 H292 Co12 N56 O80 -","4","0.5","","Gao, Xiang; Zhang, Shan-Shan; Yan, Hui; Li, Yun-Wu; Liu, Qing-Yun; Wang, Xing-Po; Tung, Chen-Ho; Ma, Hui-Yan; Sun, Di","A pillar-layered porous CoII-MOF with dual active sites for selective gas adsorption","CrystEngComm","2018","20","34","4905","","10.1039/C8CE01118D","","x-ray","1.54184","CuKα","","0.0847","0.0684","","","0.1865","0.2033","","","","","","1.046","","","","has coordinates,has disorder","229138","2020-10-21","18:00:00",""
"7231287","31.3723","0.0017","5.5593","0.0005","23.8849","0.0014","90","","101.048","0.006","90","","4088.5","0.5","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C43 H51 N6 O3.5 -","- C43 H51 N6 O3.5 -","- C172 H204 N24 O14 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1302","0.1033","","","0.2555","0.293","","","","","","1.007","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231288","6.0032","0.0001","30.9388","0.0003","33.6555","0.0002","90","","90","","90","","6250.9","0.13","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 Cl6 N6 O6 -","- C68 H56 Cl6 N6 O6 -","- C272 H224 Cl24 N24 O24 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0484","0.047","","","0.1246","0.1263","","","","","","1.054","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231289","5.7811","0.0003","15.3719","0.0009","23.4378","0.0008","102.629","0.004","90.481","0.003","95.883","0.004","2020.72","0.18","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C84 H96 N12 O6 -","2","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1063","0.0683","","","0.1605","0.1827","","","","","","0.986","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231290","9.8047","0.0001","43.1344","0.0004","19.4077","0.0002","90","","92.935","0.001","90","","8197.14","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.4 H48.4 Cl1.2 N6 O3 -","- C42.4 H48.4 Cl1.2 N6 O3 -","- C339.2 H387.2 Cl9.6 N48 O24 -","8","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0586","0.0579","","","0.147","0.1475","","","","","","1.072","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231291","4.2455","0.0015","46.493","0.015","8.218","0.002","90","","93.584","0.008","90","","1618.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0694","0.0474","","","0.0997","0.1087","","","","","","1.054","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231292","4.362","0.003","51.35","0.04","8.268","0.005","90","","93.56","0.02","90","","1848","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1659","0.066","","","0.1205","0.1481","","","","","","1.019","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231293","4.2498","0.0017","8.217","0.003","24.826","0.007","97.903","0.009","93.317","0.009","93.732","0.008","854.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.115","0.0574","","","0.1105","0.1298","","","","","","1.031","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231294","4.3773","0.0018","46.183","0.015","8.215","0.003","90","","93.759","0.006","90","","1657.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0903","0.0512","","","0.1107","0.1267","","","","","","1.028","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231295","4.3797","0.0017","8.22","0.003","24.683","0.008","98.313","0.013","93.051","0.008","93.777","0.006","875.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1438","0.0608","","","0.1136","0.143","","","","","","1.006","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231296","4.2348","0.0019","51.591","0.019","8.261","0.003","90","","93.622","0.011","90","","1801.2","1.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1554","0.0837","","","0.1418","0.1628","","","","","","1.109","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231297","8.395","0.003","8.853","0.003","23.938","0.009","89.528","0.011","80.712","0.014","62.6","0.02","1554.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0971","0.0551","","","0.1154","0.1333","","","","","","1.01","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231298","4.1696","0.0015","46.595","0.014","8.214","0.003","90","","93.529","0.01","90","","1592.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0655","0.0458","","","0.0959","0.1043","","","","","","1.059","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231299","4.168","0.0014","8.217","0.003","24.901","0.007","97.81","0.01","93.453","0.007","93.834","0.006","840.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0972","0.0536","","","0.1049","0.1199","","","","","","1.018","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231300","4.154","0.002","51.72","0.02","8.253","0.003","90","","93.663","0.012","90","","1769.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0933","0.0551","","","0.1056","0.1178","","","","","","1.062","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231310","29.9695","0.0015","8.1566","0.0005","12.1516","0.0007","90","","90.466","0.005","90","","2970.4","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O8 -","- C36 H32 N2 O8 -","- C144 H128 N8 O32 -","4","0.5","","Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kun-Peng; Hu, Zhi-Qiang","Dimethylamine substituted bisbenzocoumarins: solvatochromic, mechanochromic and acidochromic properties","CrystEngComm","2018","20","36","5432","","10.1039/C8CE01034J","","x-ray","1.54184","CuKα","","0.0909","0.0743","","","0.2221","0.2329","","","","","","1.023","","","","has coordinates","229121","2020-10-21","18:00:00",""
"7231324","14.014","0.003","14.014","0.003","6.5964","0.0012","90","","90","","120","","1121.9","0.4","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1308","0.0839","","","0.2217","0.2382","","","","","","0.968","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231325","7.1163","0.0006","11.996","0.0011","14.4685","0.0013","90","","97.492","0.001","90","","1224.59","0.19","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0723","0.058","","","0.1449","0.1566","","","","","","1.08","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231326","14.3565","0.0005","14.3565","0.0005","6.5749","0.0002","90","","90","","120","","1173.59","0.07","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0528","0.0497","","","0.1347","0.1365","","","","","","1.104","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231327","14.205","0.004","14.205","0.004","6.6233","0.0018","90","","90","","120","","1157.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1262","0.0718","","","0.1622","0.1868","","","","","","0.943","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231328","6.9574","0.001","12.3167","0.0017","14.993","0.002","90","","97.665","0.002","90","","1273.3","0.3","340","2","340","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1157","0.0646","","","0.1974","0.2429","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231329","7.1268","0.0007","11.9819","0.0011","14.4375","0.0013","90","","97.432","0.001","90","","1222.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0755","0.0614","","","0.1452","0.1564","","","","","","1.056","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231330","6.9814","0.0012","12.218","0.002","14.914","0.003","90","","97.532","0.003","90","","1261.2","0.4","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0967","0.0598","","","0.1767","0.2077","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231331","7.1352","0.0006","11.9641","0.001","14.4049","0.0012","90","","97.366","0.001","90","","1219.54","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0775","0.0666","","","0.1593","0.1682","","","","","","1.065","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231332","6.967","0.0014","12.261","0.002","14.96","0.003","90","","97.58","0.003","90","","1266.8","0.4","320","2","320","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1051","0.0618","","","0.1915","0.2282","","","","","","1.078","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231333","7.112","0.0006","12.0123","0.0011","14.5","0.0013","90","","97.558","0.001","90","","1227.99","0.19","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0727","0.0571","","","0.1457","0.1608","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231334","14.25","0.007","14.25","0.007","6.62","0.007","90","","90","","120","","1164.2","1.5","173","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10.5 H13.5 N0 O1.5 -","- C10.5 H13.5 O1.5 -","- C42 H54 O6 -","4","0.666667","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.2045","0.0835","","","0.2036","0.2461","","","","","","0.838","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231335","6.993","0.0008","12.1747","0.0014","14.8694","0.0018","90","","97.493","0.002","90","","1255.1","0.3","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0902","0.0578","","","0.1624","0.1906","","","","","","1.058","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231336","7.0442","0.0007","12.0864","0.0011","14.7091","0.0014","90","","97.509","0.001","90","","1241.6","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0783","0.0566","","","0.1472","0.1647","","","","","","1.063","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231337","7.0671","0.0007","12.0636","0.0011","14.6451","0.0013","90","","97.534","0.001","90","","1237.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0746","0.0558","","","0.1465","0.1622","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231338","7.0251","0.0008","12.1145","0.0013","14.77","0.0016","90","","97.488","0.002","90","","1246.3","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0803","0.0561","","","0.1498","0.168","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231339","7.0911","0.0007","12.0408","0.0011","14.5761","0.0013","90","","97.552","0.001","90","","1233.7","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0732","0.0565","","","0.1467","0.1605","","","","","","1.076","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231340","7.0076","0.0008","12.142","0.0015","14.8216","0.0018","90","","97.481","0.002","90","","1250.4","0.3","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0843","0.0561","","","0.1527","0.1754","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231341","12.9994","0.0008","12.9994","0.0008","29.744","0.002","90","","90","","90","","5026.3","0.6","170","2","170","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H54 N6 O15 S2 -","- C50 H54 N6 O15 S2 -","- C200 H216 N24 O60 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.0949","0.06","","","0.1552","0.1776","","","","","","1.06","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231342","13.13","0.0003","13.13","0.0003","28.8287","0.0006","90","","90","","90","","4969.98","0.19","50","","50","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H55 N8 O16 S2 -","- C51 H55 N8 O16 S2 -","- C204 H220 N32 O64 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.1237","0.1208","","","0.2959","0.2985","","","","","","1.05","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231343","12.872","0.002","18.867","0.003","9.9383","0.0015","90","","90","","90","","2413.6","0.6","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Cd N4 O4 -","- C24 H32 Cd N4 O4 -","- C96 H128 Cd4 N16 O16 -","4","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.0493","0.0357","","","0.0937","0.1046","","","","","","1.062","","","","has coordinates,has disorder","229148","2020-10-21","18:00:00",""
"7231344","4.9673","0.0002","11.0634","0.0008","14.1225","0.0008","88.044","0.005","83.108","0.004","82.997","0.004","764.6","0.08","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","1","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.029","0.0268","","","0.0625","0.064","","","","","","1.059","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231345","7.5109","0.0006","10.1052","0.0007","15.4694","0.0011","89.61","0.001","88.201","0.001","84.586","0.001","1168.29","0.15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28.5 Cd N4 O4.25 -","- C24 H28.5 Cd N4 O4.25 -","- C48 H57 Cd2 N8 O8.5 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.032","0.0288","","","0.0605","0.0623","","","","","","1.13","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231353","10.1548","0.0004","10.837","0.0004","12.2962","0.0005","91.796","0.001","98.909","0.001","112.907","0.001","1225.16","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N12 O4 Zn -","- C22 H14 N12 O4 Zn -","- C44 H28 N24 O8 Zn2 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0352","0.0336","","","0.1046","0.1057","","","","","","1.038","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231354","10.713","0.003","6.9055","0.0016","18.844","0.004","90","","100.097","0.004","90","","1372.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N7 O5 Zn -","- C11 H7 N7 O5 Zn -","- C44 H28 N28 O20 Zn4 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.057","0.0385","","","0.0906","0.0995","","","","","","1.035","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231355","6.0986","0.001","15.19","0.003","13.895","0.002","90","","100.349","0.005","90","","1266.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 N12 O4 Zn2 -","- C22 H14 Cl2 N12 O4 Zn2 -","- C44 H28 Cl4 N24 O8 Zn4 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0289","0.0254","","","0.0985","0.1038","","","","","","1.002","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231356","9.174","0.008","11.395","0.009","10.554","0.008","90","","101.254","0.013","90","","1082.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0363","0.0291","","","0.0768","0.0817","","","","","","1.062","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231357","12.146","0.005","18.094","0.008","7.506","0.003","90","","107.505","0.007","90","","1573.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N7 O7 -","- C11 H7 Cd N7 O7 -","- C44 H28 Cd4 N28 O28 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.1372","0.1174","","","0.3045","0.3122","","","","","","1.038","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231358","4.4245","0.0003","26.1617","0.0019","9.5862","0.0007","90","","92.754","0.002","90","","1108.34","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0262","0.0261","","","0.0682","0.0683","","","","","","1.02","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231359","34.2197","0.0012","7.8669","0.0003","18.949","0.0007","90","","104.802","0.001","90","","4931.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cd N12 O5 -","- C21.9999 H13.9999 Cd N11.9999 O5 -","- C175.999 H111.999 Cd8 N95.9992 O40 -","8","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0306","0.0265","","","0.0723","0.0745","","","","","","1.059","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231370","5.7789","0.0003","12.3293","0.0007","24.9401","0.0014","90","","90","","90","","1776.98","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0559","0.0361","","","0.104","0.1268","","","","","","0.933","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231371","9.5641","0.0007","20.0364","0.001","30.4887","0.0017","90","","90","","90","","5842.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 F3 N5 O6 S -","- C27 H32 F3 N5 O6 S -","- C216 H256 F24 N40 O48 S8 -","8","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.1115","0.0657","","","0.1271","0.1437","","","","","","1.009","","","","has coordinates,has disorder","229129","2020-10-21","18:00:00",""
"7231372","5.5932","0.0003","6.0945","0.0004","16.8563","0.0008","97.308","0.004","94.713","0.004","107.291","0.005","539.79","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 F N4 O3 -","- C9 H13 F N4 O3 -","- C18 H26 F2 N8 O6 -","2","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","1.54178","CuKα","","0.0426","0.0417","","","0.1117","0.1137","","","","","","1.047","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231373","11.185","0.0009","8.9191","0.0009","17.2838","0.0015","90","","96.393","0.009","90","","1713.5","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C56 H76 N20 O16 S8 -","4","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0921","0.0556","","","0.1151","0.1332","","","","","","0.973","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231381","11.4132","0.0008","18.7392","0.0012","19.1989","0.0011","71.434","0.005","73.347","0.005","81.818","0.005","3723.3","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Henicosa-[μ~3~-oxido]-nonadeca-[μ~3~-hydroxido]-octa-[μ-hydroxido]-tetraicosa-[μ-formiato-κ^2^O1:O2]-tetra-[formiato-κ^2^O1:O2]-hepta-[formiato-κO]-pentaaqua-hexaicosazirconium(IV) penta-formic acid solvate pentadecahydrate","","- C40 H82 O133 Zr26 -","- C40 H40 O133 Zr26 -","- C40 H40 O133 Zr26 -","1","0.5","","Nateghi, Bahareh; Boldog, Ishtvan; Domasevitch, Konstiantyn V.; Janiak, Christoph","More versatility than thought: large {Zr26} oxocarboxylate cluster by corner-sharing of standard octahedral subunits","CrystEngComm","2018","20","35","5132","","10.1039/C8CE01064A","","","1.54186","CuKα","","0.0719","0.0561","","","0.1533","0.1625","","","","","","0.981","","","","has coordinates,has disorder","229123","2020-10-21","18:00:00",""
"7231385","12.402","","14.734","","20.85","","90","","90","","90","","3809.94","","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)","","- C26 H22 Mn3 N4 O12 -","- C26 H22 Mn3 N4 O12 -","- C104 H88 Mn12 N16 O48 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.049","0.0437","","","0.1258","0.1285","","","","","","1.125","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231386","19.582","0.0011","20.1291","0.0007","12.0113","0.0004","90","","90","","90","","4734.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)","","- C32 H37 Cl Co3 N6 O16 -","- C32 H37 Cl Co3 N6 O16 -","- C128 H148 Cl4 Co12 N24 O64 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.0959","0.0786","","","0.2223","0.2356","","","","","","1.061","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231387","5.8605","0.0004","13.6144","0.0009","19.3605","0.0014","90","","105.582","0.003","90","","1487.95","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Co N2 O9 P -","- C9 H18 Co N2 O9 P -","- C36 H72 Co4 N8 O36 P4 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.1058","0.0845","","","0.1963","0.2057","","","","","","1.058","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231388","15.3007","0.0009","8.2832","0.0005","16.2601","0.001","90","","113.487","0.002","90","","1890","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Co2 N2 O14 P2 -","- C10 H20 Co2 N2 O14 P2 -","- C40 H80 Co8 N8 O56 P8 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.0565","0.0377","","","0.081","0.0876","","","","","","1.006","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231390","26.685","0.005","4.809","0.001","36.125","0.007","90","","107.56","0.03","90","","4419.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H55 Cl2 N7 O16 -","- C32 H41 Cl2 N7 O16 -","- C128 H164 Cl8 N28 O64 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.8","Synchrotron","","0.2381","0.142","","","0.2954","0.3499","","","","","","1.136","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231391","28.206","0.006","4.803","0.001","35.888","0.007","90","","97.44","0.03","90","","4820.9","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 I2 N7 O20.5 -","- C32 H41 I2 N7 O20.5 -","- C128 H164 I8 N28 O82 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.7","Synchrotron","","0.096","0.0714","","","0.1751","0.1904","","","","","","1.026","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231396","13.407","0.006","20.998","0.009","13.171","0.006","90","","104.296","0.006","90","","3593","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H52 Cu4 N12 O60 Si W12 -","- C20 H16 Cu4 N12 O51 Si W12 -","- C40 H32 Cu8 N24 O102 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yi, Li-Qiang; Lu, Jia-Ni; Dong, Long-Zhang; Lan, Ya-Qian","A stable polyoxometalate-based porous coordination polymer with high proton conductivity","CrystEngComm","2018","20","39","6077","","10.1039/C8CE00693H","","","0.71073","MoKα","","0.1333","0.0802","","","0.1763","0.1984","","","","","","1.035","","","","has coordinates,has disorder","228975","2020-10-21","18:00:00",""
"7231397","33.908","0.002","17.5051","0.0013","15.7559","0.0013","90","","115.591","0.005","90","","8434.7","1.1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-zinc(II)-N,N'-dimethylformamide solvate]","","- C48 H35 N7 O7 Zn -","- C48 H35 N7 O7 Zn -","- C384 H280 N56 O56 Zn8 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0829","0.0623","","","0.1664","0.1826","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231398","16.2604","0.0006","17.381","0.0006","30.3417","0.001","90","","101.28","0.002","90","","8409.6","0.5","100","2","99.99","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N'-dimethylformamide solvate]","","- C48.75 H36.75 Mn N7.25 O7.25 -","- C48.75 H36.75 Mn N7.25 O7.25 -","- C390 H294 Mn8 N58 O58 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0781","0.0636","","","0.1723","0.1847","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231399","34.7205","0.0018","17.3089","0.0006","15.8202","0.0007","90","","115.923","0.002","90","","8550.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.1 H32.9 N6.7 Ni O6.7 -","- C45 H28 N6 Ni O6 -","- C360 H224 N48 Ni8 O48 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","1.54178","CuKα","","0.1612","0.0996","","","0.2742","0.3409","","","","","","1.045","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231400","16.281","0.003","17.516","0.003","30.291","0.004","90","","100.546","0.003","90","","8492","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H35 Cd N7 O7 -","- C48 H35 Cd N7 O7 -","- C384 H280 Cd8 N56 O56 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","0.71073","MoKα","","0.1881","0.1267","","","0.251","0.2798","","","","","","1.185","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231401","11.52","0.004","12.109","0.004","12.548","0.003","112.79","0.02","100.47","0.03","102.1","0.02","1509.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 F9 O15 Rb3 S3 -","- C13 H22 F9 O15 Rb3 S3 -","- C26 H44 F18 O30 Rb6 S6 -","2","1","","Dankert, Fabian; Heine, Johanna; Rienmüller, Julia; von Hänisch, Carsten","Sila-polyethers as innocent crystallization reagents for heavy alkali metal compounds","CrystEngComm","2018","20","36","5370","","10.1039/C8CE01097H","","","0.71073","MoKα","","0.0481","0.0328","","","0.0778","0.0818","","","","","","1.001","","","","has coordinates","229117","2020-10-21","18:00:00",""
"7231436","15.9161","0.0015","9.2678","0.0008","17.748","0.0016","90","","116.527","0.003","90","","2342.4","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C64 H80 Co3 Eu4 Fe N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0171","0.015","","","0.0346","0.0351","","","","","","1.094","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231437","15.9157","0.0005","9.2572","0.0003","17.735","0.0006","90","","116.547","0.001","90","","2337.49","0.13","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu N8 O7 -","- C16 H20 Co Eu N8 O7 -","- C64 H80 Co4 Eu4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0188","0.0168","","","0.0497","0.0503","","","","","","1.243","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231438","15.914","0.002","9.2658","0.0011","17.8","0.002","90","","116.489","0.005","90","","2349.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C64 H80 Co Eu4 Fe3 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0454","0.0465","","","","","","1.07","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231439","15.869","0.004","9.274","0.003","17.72","0.007","90","","116.259","0.01","90","","2338.7","1.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C64 H80 Co3.88 Eu4 Fe0.12 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.028","0.0271","","","0.0746","0.0751","","","","","","1.348","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231440","15.922","0.003","9.2557","0.0015","17.732","0.003","90","","116.446","0.006","90","","2339.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C64 H80 Co3.76 Eu4 Fe0.24 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0197","0.0172","","","0.0421","0.043","","","","","","1.028","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231441","15.9088","0.001","9.2677","0.0006","17.7418","0.0016","90","","116.514","0.002","90","","2340.7","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C64 H80 Co3.4 Eu4 Fe0.6 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0196","0.017","","","0.043","0.0438","","","","","","1.1","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231442","15.9155","0.0018","9.2628","0.0011","17.822","0.002","90","","116.366","0.003","90","","2354","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Eu Fe N8 O7 -","- C16 H20 Eu Fe N8 O7 -","- C64 H80 Eu4 Fe4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0254","0.0181","","","0.0553","0.1044","","","","","","1.475","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231443","15.9056","0.0018","9.258","0.0011","17.746","0.002","90","","116.54","0.004","90","","2337.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C64 H80 Co3.52 Eu4 Fe0.48 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0183","0.0157","","","0.0381","0.039","","","","","","1.013","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231444","15.9139","0.0007","9.2609","0.0004","17.7694","0.0008","90","","116.419","0.001","90","","2345.31","0.18","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C64 H80 Co2 Eu4 Fe2 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0372","0.0377","","","","","","1.117","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231445","15.907","0.003","9.268","0.002","17.718","0.004","90","","116.505","0.004","90","","2337.6","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C64 H80 Co3.64 Eu4 Fe0.36 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0155","","","0.0386","0.0394","","","","","","1.026","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231446","8.7461","0.0003","10.7477","0.0005","13.2654","0.0006","83.381","0.004","75.005","0.004","69.554","0.004","1128.19","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd N4 O4 S -","- C26 H16 Cd N4 O4 S -","- C52 H32 Cd2 N8 O8 S2 -","2","1","","Huang, Jia; Zhang, Jie; He, Runhua; Fu, Zhiyong","Structure of a Cd(ii) mixed-ligand coordination polymer: single crystalline conductance switch involving photoinduced electron transfer and photocoloration","CrystEngComm","2018","20","38","5663","","10.1039/C8CE01251B","","","0.71073","MoKα","","0.052","0.0486","","","0.1062","0.1079","","","","","","1.081","","","","has coordinates","229149","2020-10-21","18:00:00",""
"7231456","15.055","0.0007","5.2838","0.0002","11.1874","0.0005","90","","111.335","0.003","90","","828.94","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0451","0.0277","","","0.0496","0.0523","","","","","","0.89","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231457","15.0878","0.0005","5.2804","0.0002","11.2408","0.0004","90","","111.346","0.002","90","","834.11","0.05","229","2","229","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0504","0.0295","","","0.0499","0.053","","","","","","0.869","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231458","15.1069","0.0005","5.2772","0.0002","11.2674","0.0004","90","","111.344","0.002","90","","836.65","0.05","249","2","249","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0498","0.0294","","","0.0584","0.0641","","","","","","1.024","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231459","15.0775","0.0009","5.2848","0.0003","11.2151","0.0007","90","","111.405","0.004","90","","832","0.09","209","2","209","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0462","0.0277","","","0.0493","0.052","","","","","","0.87","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231460","15.1283","0.0005","5.2745","0.0001","11.2948","0.0004","90","","111.348","0.002","90","","839.42","0.05","269","2","269","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0534","0.0303","","","0.0596","0.0664","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231461","15.6409","0.0008","5.2384","0.0003","11.0229","0.0005","90","","90","","90","","903.14","0.08","191","2","191","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0328","0.0309","","","0.0748","0.0758","","","","","","1.085","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231462","15.6537","0.0005","5.2381","0.0002","11.0524","0.0003","90","","90","","90","","906.25","0.05","211","2","211","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0185","0.0166","","","0.0406","0.0415","","","","","","1.131","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231463","15.6966","0.0009","5.2398","0.0003","11.1314","0.0006","90","","90","","90","","915.52","0.09","276","2","276","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0208","0.0182","","","0.0448","0.0461","","","","","","1.115","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231464","3.9366","0.0003","13.2445","0.001","18.2177","0.0016","72.763","0.002","85.794","0.002","83.955","0.002","901.25","0.13","209","2","209","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0664","0.0527","","","0.1264","0.1303","","","","","","0.994","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231465","3.9272","0.0003","13.2313","0.0011","18.2212","0.0016","72.682","0.002","85.789","0.002","83.9","0.002","897.9","0.13","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0625","0.0507","","","0.1258","0.1298","","","","","","0.965","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231466","3.9684","0.0004","13.277","0.0014","18.217","0.002","73.014","0.003","85.807","0.003","84.125","0.003","912.19","0.17","269","2","269","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0516","0.032","","","0.0678","0.074","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231467","3.9578","0.0003","13.2665","0.0011","18.2186","0.0018","72.926","0.003","85.798","0.003","84.065","0.002","908.6","0.14","249","2","249","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.047","0.0305","","","0.0662","0.0715","","","","","","1.006","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231468","15.686","0.0007","5.2395","0.0002","11.1083","0.0005","90","","90","","90","","912.96","0.07","256","2","256","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.02","0.0178","","","0.0422","0.0431","","","","","","1.12","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231469","15.6785","0.0006","5.2396","0.0002","11.086","0.0004","90","","90","","90","","910.7","0.06","231","2","231","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0435","","","","","","1.125","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231470","3.9472","0.0003","13.2528","0.001","18.2138","0.0015","72.838","0.002","85.776","0.002","83.982","0.002","904.43","0.12","229","2","229","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0701","0.053","","","0.1277","0.1329","","","","","","0.966","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231477","9.1398","0.0018","11.737","0.002","19.444","0.005","90","","117.68","0.02","90","","1847.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 Cu N2 -","- C8 H22 Cl6 Cu N2 -","- C32 H88 Cl24 Cu4 N8 -","4","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.1806","0.0697","","","0.1338","0.1789","","","","","","1.026","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231478","6.3887","0.0013","8.7893","0.0018","9.6997","0.0019","66.57","0.03","82.91","0.03","79","0.03","489.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0236","0.0211","","","0.0502","0.0511","","","","","","1.083","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231479","6.411","0.0008","8.835","","9.7295","0.0002","66.616","0.013","82.87","0.02","79.14","0.02","496.02","0.08","343","2","343","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0389","0.0291","","","0.0561","0.0587","","","","","","0.992","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231480","8.0685","0.0004","11.3449","0.0004","11.37","0.0005","66.307","0.004","75.977","0.004","72.054","0.004","898.25","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","1","0.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0394","0.0321","","","0.0803","0.086","","","","","","1.052","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231481","8.0365","0.0004","9.909","0.0007","12.1201","0.0008","94.619","0.006","95.775","0.005","94.636","0.005","953.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.91 H2.36 Eu0.18 N0.55 O2.18 -","- C2.90909 H2.36364 Eu0.181818 N0.545455 O2.18182 -","- C32 H26 Eu2 N6 O24 -","11","5.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0895","0.0689","","","0.1663","0.2144","","","","","","1.093","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231488","18.1126","0.0009","18.1126","0.0009","46.624","0.004","90","","90","","120","","13246.5","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Co N O6.5 -","- C14 H9 Co N O5 -","- C504 H324 Co36 N36 O180 -","36","1","","He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao","A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries","CrystEngComm","2018","20","37","5576","","10.1039/C8CE01039K","","","0.71073","MoKα","","0.0945","0.0661","","","0.1577","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228907","2020-10-21","18:00:00",""
"7231489","7.838","0.002","10.632","0.003","10.783","0.003","114.411","0.004","94.739","0.005","104.111","0.005","776.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","1","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0794","0.0637","","","0.1998","0.2501","","","","","","1.129","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231490","21.331","0.005","7.9294","0.0019","26.114","0.006","90","","90","","90","","4417","1.8","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cd N3 O7 -","- C24 H15 Cd N3 O7 -","- C192 H120 Cd8 N24 O56 -","8","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1114","0.0495","","","0.086","0.106","","","","","","0.985","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231491","7.5476","0.0013","11.701","0.002","14.477","0.003","109.368","0.003","100.819","0.003","102.451","0.003","1130.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C48 H36 Co2 N6 O18 -","2","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0922","0.069","","","0.195","0.2775","","","","","","1.166","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231492","13.39","0.008","9.643","0.006","15.34","0.01","90","","99.263","0.012","90","","1955","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu N2 O8 -","- C19 H16 Cu N2 O8 -","- C76 H64 Cu4 N8 O32 -","4","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1472","0.0681","","","0.1546","0.2017","","","","","","0.973","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231493","31.709","0.009","7.843","0.002","21.873","0.006","90","","131.327","0.004","90","","4084.9","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd3 N4 O16 -","- C38 H30 Cd3 N4 O16 -","- C152 H120 Cd12 N16 O64 -","4","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0391","0.0318","","","0.079","0.0837","","","","","","1.051","","","","has coordinates,has disorder","229151","2020-10-21","18:00:00",""
"7231500","9.884","0.005","10.055","0.005","21.401","0.01","93.574","0.008","91.624","0.008","112.313","0.008","1960.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","1","0.5","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0702","0.0487","","","0.1226","0.1317","","","","","","1.04","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231501","10.0679","0.0006","11.2018","0.0007","11.3853","0.0007","103.514","0.001","107.522","0.001","95.532","0.001","1171.13","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 Ni O7 -","- C23 H26 N4 Ni O7 -","- C46 H52 N8 Ni2 O14 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0825","0.0856","","","","","","1.039","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231502","8.1354","0.0017","16.294","0.003","16.793","0.003","108.688","0.004","90.416","0.004","94.18","0.004","2102","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 N8 Ni O10 S -","- C42 H44 N8 Ni O10 S -","- C84 H88 N16 Ni2 O20 S2 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0843","0.0527","","","0.1201","0.1374","","","","","","1.035","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231503","23.542","0.013","10.509","0.006","10.273","0.006","90","","104.604","0.008","90","","2459","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24 N4 Ni O9 -","- C23 H24 N4 Ni O9 -","- C92 H96 N16 Ni4 O36 -","4","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0474","0.037","","","0.0996","0.1092","","","","","","1.047","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231504","16.517","0.007","14.199","0.007","11.763","0.005","90","","117.976","0.008","90","","2436.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cd Cu2 N4 O10 -","- C46 H44 Cd Cu2 N4 O10 -","- C92 H88 Cd2 Cu4 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0834","0.0637","","","0.1557","0.1647","","","","","","1.115","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231505","33.368","0.01","11.339","0.004","22.334","0.007","90","","120.204","0.004","90","","7303","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cu4 Mn N8 O12 -","- C84 H84 Cu4 Mn N8 O12 -","- C336 H336 Cu16 Mn4 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0944","0.0499","","","0.1034","0.1239","","","","","","0.962","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231506","16.705","0.008","14.059","0.008","11.579","0.006","90","","117.522","0.009","90","","2412","2","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cu2 Mn N4 O10 -","- C46 H44 Cu2 Mn N4 O10 -","- C92 H88 Cu4 Mn2 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.1017","0.0841","","","0.2328","0.2425","","","","","","1.14","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231507","33.2826","0.0012","11.3712","0.0003","22.6379","0.0009","90","","120.453","0.003","90","","7385.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd Cu4 N8 O12 -","- C84 H84 Cd Cu4 N8 O12 -","- C336 H336 Cd4 Cu16 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0308","0.0258","","","0.0957","0.1041","","","","","","0.907","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231510","12.1515","0.001","13.1137","0.0011","16.5899","0.0014","98.339","0.001","105.425","0.001","104.474","0.001","2403.3","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","1","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.0838","0.0752","","","0.2037","0.2151","","","","","","1.048","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231511","16.289","0.0017","16.476","0.0017","18.003","0.002","104.61","0.002","116.152","0.002","91.609","0.002","4142.5","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cl N12 O20 Ru2 V6 -","- C72 H48 Cl N12 O20 Ru2 V6 -","- C144 H96 Cl2 N24 O40 Ru4 V12 -","2","1","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1089","0.0926","","","0.2562","0.2771","","","","","","1.028","","","","has coordinates,has disorder","229052","2020-10-21","18:00:00",""
"7231512","26.468","0.004","15.103","0.002","23.374","0.003","90","","108.164","0.003","90","","8878","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 N12 O43 Ru2 V10 -","- C72 H48 N12 O43 Ru2 V10 -","- C288 H192 N48 O172 Ru8 V40 -","4","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1342","0.0731","","","0.1721","0.2153","","","","","","1.025","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231513","8.902","0.0006","9.2715","0.0008","14.2635","0.0012","84.984","0.007","89.142","0.006","63.976","0.007","1053.47","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ BSAH","Albendazole benzene sulfonic acid hydrate","","- C18 H23 N3 O6 S2 -","- C18 H23 N3 O6 S2 -","- C36 H46 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1073","0.0639","","","0.1434","0.1709","","","","","","1.026","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231514","8.9","0.005","9.573","0.005","14.453","0.008","83.026","0.009","72.434","0.008","63.151","0.008","1047.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ABZ-PTSAH","Albendazole paratoulene sulfonic acid hydrate","","- C19 H25 N3 O6 S2 -","- C19 H25 N3 O6 S2 -","- C38 H50 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0734","0.0694","","","0.1889","0.1945","","","","","","1.046","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231515","15.2992","0.0017","9.742","0.0009","15.8825","0.0014","90","","115.573","0.012","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 S2 -","- C19 H23 N3 O5 S2 -","- C76 H92 N12 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1227","0.074","","","0.1883","0.2105","","","","","","1.106","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231516","8.5042","0.0007","9.4678","0.0007","26.084","0.002","96.005","0.006","93.966","0.007","102.377","0.007","2031","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ-BSA","Albendazole benzenesulfonic acid","","- C18 H21 N3 O5 S2 -","- C18 H21 N3 O5 S2 -","- C72 H84 N12 O20 S8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1844","0.0844","","","0.2121","0.2723","","","","","","0.991","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231517","5.2659","0.0007","28.337","0.004","11.2029","0.0015","90","","93.925","0.002","90","","1667.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-OAH","Albendazole oxalic acid hydrate","","- C14 H15 N3 O7 S -","- C14 H15 N3 O7 S -","- C56 H60 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0657","0.064","","","0.1589","0.1598","","","","","","1.326","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231518","17.176","0.005","9.293","0.003","25.789","0.008","90","","105.95","0.005","90","","3958","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-26DHBA","Albendazole-26dihydroxy benzoic acid","","- C38 H26 N6 O12 S2 -","- C38 H26 N6 O12 S2 -","- C152 H104 N24 O48 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0986","0.0758","","","0.1946","0.2099","","","","","","1.095","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231521","7.2684","0.0003","11.2015","0.0005","11.2573","0.0005","65.725","0.001","73.534","0.001","72.674","0.001","783.82","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Ba O13 P3 -","- C6 H15 Ba O13 P3 -","- C12 H30 Ba2 O26 P6 -","2","1","","Athanasopoulos, Evangelos D.; Armakola, Eirini; Koutsoukos, Petros G.; Demadis, Konstantinos D.","Nucleation and crystal growth of barium sulfate: inhibition in the presence of rigid and flexible triphosphonate additives","CrystEngComm","2018","20","41","6589","","10.1039/C8CE01116H","","","0.71073","MoKα","","0.021","0.0199","","","0.0513","0.0517","","","","","","1.08","","","","has coordinates","228917","2020-10-21","18:00:00",""
"7231522","10.8415","0.0002","13.7771","0.0004","6.9369","0.0002","90","","102.685","0.001","90","","1010.84","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0803","0.0488","","","0.1247","0.1421","","","","","","1.062","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231523","11.526","0.0002","7.222","0.0002","26.949","0.0007","90","","90","","90","","2243.26","0.09","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0669","0.0384","","","0.1002","0.1173","","","","","","1.079","","","","has coordinates,has disorder","229053","2020-10-21","18:00:00",""
"7231524","12.217","0.0002","10.689","0.0002","18.218","0.0005","90","","90.039","0.001","90","","2379.04","0.09","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C104 H88 Cl8 N16 O16 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0442","0.0357","","","0.0885","0.0931","","","","","","1.07","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231525","13.818","0.0002","11.305","0.0002","13.56","0.0003","90","","107.686","0.0009","90","","2018.12","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","2","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0606","0.0415","","","0.1062","0.1162","","","","","","1.044","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231532","12.8523","0.0004","12.8523","0.0004","45.7558","0.0017","90","","90","","120","","6545.4","0.4","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","Sodium cerium iminodiacetato biphenyl dicarboxylate","Sodium cerium iminodiacetato biphenyl dicarboxylate","","- C54 H36 Ce3 N3 Na3 O28 -","- C54 H36 Ce3 N3 Na3 O28 -","- C162 H108 Ce9 N9 Na9 O84 -","3","0.166667","","Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan","Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture","CrystEngComm","2018","20","39","6088","","10.1039/C8CE00752G","","","1.54178","CuKα","","0.0359","0.0357","","","0.1199","0.12","","","","","","1.193","","","","has coordinates","228984","2020-10-21","18:00:00",""
"7231535","10.768","0.0005","12.2601","0.0006","13.3043","0.0006","97.054","0.002","101.999","0.002","98.839","0.002","1675.71","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cl2 N4 O6 -","- C38 H39 Cl2 N4 O6 -","- C76 H78 Cl4 N8 O12 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.044","0.0372","","","0.096","0.1006","","","","","","1.033","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231536","23.5127","0.0011","7.1104","0.0003","19.6874","0.0009","90","","108.636","0.002","90","","3118.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.0335","0.0307","","","0.0867","0.089","","","","","","1.092","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231537","7.7589","0.0004","11.9715","0.0005","16.3035","0.0006","73.776","0.003","77.048","0.004","80.463","0.004","1408.44","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 F N4 O5 -","- C30 H29 Cl2 F N4 O5 -","- C60 H58 Cl4 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0994","0.0905","","","0.2509","0.2583","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231538","6.9178","0.0004","18.4663","0.001","20.0399","0.001","90","","92.316","0.005","90","","2557.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 F3 N3 O6 -","- C29 H25 F3 N3 O6 -","- C116 H100 F12 N12 O24 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","","","0.06","0.0522","","","0.1187","0.1222","","","","","","1.224","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231539","7.0624","0.0003","13.6301","0.0008","15.3041","0.0007","73.354","0.005","77.509","0.004","80.518","0.004","1369.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F N4 O5 -","- C31 H33 F N4 O5 -","- C62 H66 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0589","0.046","","","0.1102","0.1164","","","","","","1.11","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231540","18.5334","0.0007","6.7235","0.0003","25.4164","0.0012","90","","91.407","0.004","90","","3166.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl F N4 O8 -","- C35 H36 Cl F N4 O8 -","- C140 H144 Cl4 F4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.152","0.1672","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231541","10.49","0.003","11.48","0.003","11.803","0.003","71.177","0.005","80.96","0.005","69.147","0.004","1255.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0761","0.0475","","","0.1185","0.1342","","","","","","1.002","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231542","10.63","0.0005","11.386","0.0005","11.491","0.0005","100.128","0.001","105.992","0.001","91.208","0.001","1312.58","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H40 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0341","0.0296","","","0.0918","0.0948","","","","","","1.036","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231543","10.653","0.0017","11.38","0.0018","12.165","0.002","93.925","0.004","114.034","0.003","96.044","0.003","1329.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.1008","0.0605","","","0.157","0.1813","","","","","","1.015","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231554","9.3306","0.0003","12.1953","0.0006","13.9463","0.0007","106.882","0.004","96.827","0.003","110.51","0.004","1378.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N3 O8 Zn -","- C34 H20 N3 O8 Zn -","- C68 H40 N6 O16 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.053","0.039","","","0.0807","0.0881","","","","","","1.033","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231555","9.9165","0.0006","11.2086","0.0008","15.7088","0.0013","69.766","0.007","83.974","0.006","65.283","0.006","1486.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O11 Zn -","- C31 H19 N3 O11 Zn -","- C62 H38 N6 O22 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.0979","0.0778","","","0.1932","0.2043","","","","","","1.149","","","","has coordinates,has disorder","228967","2020-10-21","18:00:00",""
"7231556","22.9944","0.0014","9.5069","0.0006","14.6854","0.001","90","","93.394","0.002","90","","3204.7","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H48 N6 O17 Zn2 -","- C80 H48 N6 O17 Zn2 -","- C160 H96 N12 O34 Zn4 -","2","0.5","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.1564","0.1435","","","0.3024","0.3086","","","","","","1.173","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231563","11.765","0.002","6.848","0.0014","15.417","0.003","90","","100.72","0.03","90","","1220.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","1","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0307","0.0307","","","0.0879","0.0879","","","","","","1.104","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231564","18.579","0.004","31.71","0.006","40.968","0.008","90","","92.51","0.03","90","","24113","8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 Ni O2 -","- C34 H40 N2 Ni O2 -","- C1088 H1280 N64 Ni32 O64 -","32","16","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0343","0.0307","","","0.0804","0.0828","","","","","","1.034","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231565","11.693","0.002","39.642","0.008","9.7135","0.0018","90","","111.005","0.007","90","","4203.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl6 Mn2 N4 O14 -","- C34 H24 Cl6 Mn2 N4 O14 -","- C136 H96 Cl24 Mn8 N16 O56 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0691","0.0516","","","0.1273","0.1377","","","","","","1.038","","","","has coordinates,has disorder","228921","2020-10-21","18:00:00",""
"7231566","18.6545","0.0012","14.0357","0.0008","15.6154","0.001","90","","90","","90","","4088.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H26 Cl4 Mn2 N7 O13 -","- C36 H26 Cl4 Mn2 N7 O13 -","- C144 H104 Cl16 Mn8 N28 O52 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0753","0.07","","","0.1856","0.1907","","","","","","1.084","","","","has coordinates","228921","2020-10-21","18:00:00",""
"7231567","16.249","0.0004","10.264","0.0003","9.9035","0.0003","90","","96.976","0.002","90","","1639.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C48 H104 Cl8 N8 O16 Pd4 -","4","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0309","0.0263","","","0.05","0.0532","","","","","","1.062","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231568","7.4645","0.00019","7.6682","0.0002","16.3035","0.0005","90","","100.063","0.003","90","","918.84","0.04","100.29","0.1","100.29","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 N2 O4 Pb -","- C12 H26 Cl2 N2 O4 Pb -","- C24 H52 Cl4 N4 O8 Pb2 -","2","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0405","0.0262","","","0.0418","0.047","","","","","","1.01","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231569","6.5577","0.0003","7.8482","0.0003","7.8785","0.0003","83.909","0.003","81.02","0.003","87.767","0.003","398.14","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","1","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0264","0.0242","","","0.0498","0.0508","","","","","","1.08","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231570","9.0814","0.0007","9.3267","0.0007","9.8315","0.0007","83.997","0.003","65.41","0.002","63.057","0.002","671.38","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Sm -","- C10 H12 O11 Sm -","- C20 H24 O22 Sm2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0221","0.0176","","","0.0348","0.0359","","","","","","1.063","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231571","8.2905","0.0003","18.7105","0.0007","7.797","0.0003","90","","105.969","0.0015","90","","1162.8","0.08","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Dy O8.7 -","- C9 H9.4 Dy O8.7 -","- C36 H37.6 Dy4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0227","0.0188","","","0.0427","0.0441","","","","","","1.049","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231572","8.3156","0.0004","18.7115","0.0007","7.8028","0.0004","90","","106.171","0.002","90","","1166.06","0.09","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Tb -","- C9 H9.4 O8.7 Tb -","- C36 H37.6 O34.8 Tb4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.052","0.0311","","","0.0526","0.0568","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231573","14.0391","0.0004","6.7782","0.0002","21.9289","0.0005","90","","90","","90","","2086.75","0.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Tb -","- C10 H5 O6 Tb -","- C80 H40 O48 Tb8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0309","0.0214","","","0.0345","0.0363","","","","","","1.093","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231574","8.3815","0.0003","18.8425","0.0006","7.8522","0.0002","90","","106.311","0.0011","90","","1190.18","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Sm -","- C9 H9.4 O8.7 Sm -","- C36 H37.6 O34.8 Sm4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0388","0.0253","","","0.0461","0.0494","","","","","","1.057","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231575","9.0276","0.0002","12.5114","0.0003","10.4264","0.0002","90","","103.238","0.001","90","","1146.35","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Sm2 -","- C16 H20 O18 Sm2 -","- C32 H40 O36 Sm4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.036","0.0368","","","","","","1.053","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231576","9.1538","0.0004","9.315","0.0004","9.7631","0.0005","84.232","0.0017","65.533","0.0015","62.711","0.0016","669.27","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Tb -","- C10 H12 O11 Tb -","- C20 H24 O22 Tb2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0504","0.035","","","0.051","0.0542","","","","","","1.097","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231577","8.9118","0.0002","12.3451","0.0003","10.34","0.0002","90","","103.048","0.0009","90","","1108.21","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Er2 O18 -","- C16 H20 Er2 O18 -","- C32 H40 Er4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0257","0.0209","","","0.0318","0.0326","","","","","","1.005","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231578","14.0967","0.0008","6.8258","0.0003","22.0196","0.0013","90","","90","","90","","2118.8","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Eu O6 -","- C10 H5 Eu O6 -","- C80 H40 Eu8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0499","0.0259","","","0.0572","0.0845","","","","","","1.149","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231579","9.0081","0.0003","12.4849","0.0004","10.4062","0.0003","90","","103.211","0.001","90","","1139.36","0.06","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Eu2 O18 -","- C16 H20 Eu2 O18 -","- C32 H40 Eu4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0191","0.0164","","","0.0282","0.0286","","","","","","1.058","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231580","8.9635","0.0003","12.4252","0.0004","10.3811","0.0004","90","","103.123","0.0011","90","","1125.99","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Tb2 -","- C16 H20 O18 Tb2 -","- C32 H40 O36 Tb4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.038","0.0281","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231581","14.1351","0.0006","6.8443","0.0003","22.0442","0.001","90","","90","","90","","2132.66","0.16","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Sm -","- C10 H5 O6 Sm -","- C80 H40 O48 Sm8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0577","0.0412","","","0.0972","0.1039","","","","","","1.199","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231582","13.9332","0.0016","6.7258","0.0008","21.795","0.002","90","","90","","90","","2042.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Er O6 -","- C10 H5 Er O6 -","- C80 H40 Er8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0303","0.0232","","","0.0486","0.0504","","","","","","1.104","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231583","8.3194","0.0007","18.7938","0.0015","7.8274","0.0006","90","","106.066","0.002","90","","1176.04","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Gd O8.7 -","- C9 H9.4 Gd O8.7 -","- C36 H37.6 Gd4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.0385","0.0395","","","","","","1.111","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231586","13.5715","0.0012","10.693","0.0009","21.9043","0.0016","90","","99.931","0.002","90","","3131.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 B N O4 -","- C38 H40 B N O4 -","- C152 H160 B4 N4 O16 -","4","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0846","0.047","","","0.0916","0.1057","","","","","","0.999","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231587","7.6544","0.0002","10.3806","0.0003","10.4938","0.0003","105.591","0.0013","102.958","0.0012","95.446","0.0013","771.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 Br N2 O3 -","- C14 H20 Br N O4 -","- C28 H40 Br2 N2 O8 -","2","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0262","0.0225","","","0.0588","0.0864","","","","","","1.108","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231588","7.8199","0.0014","8.6152","0.0015","12.9","0.002","98.216","0.002","99.515","0.002","90.024","0.002","848.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethylene","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0561","0.0421","","","0.1078","0.1162","","","","","","1.064","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231589","7.503","0.003","7.836","0.003","20.382","0.007","88.77","0.09","85.38","0.05","79.99","0.05","1176.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,3-Bis(4-pyridyl)propane","","- C28 H29 N3 O2 -","- C28 H29 N3 O2 -","- C56 H58 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0929","0.0523","","","0.1188","0.1398","","","","","","1.014","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231590","38.014","0.016","5.787","0.003","15.566","0.007","90","","93.646","0.006","90","","3417","3","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C160 H160 N8 O24 -","4","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0583","0.0404","","","0.0865","0.0949","","","","","","1.017","","","","has coordinates,has disorder","228918","2020-10-21","18:00:00",""
"7231591","7.549","0.005","8.736","0.006","13.095","0.008","100.617","0.01","99.729","0.009","93.918","0.009","832.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 4,4'-azopyridine","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0641","0.0415","","","0.0958","0.1078","","","","","","1.036","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231592","35.567","0.008","5.7333","0.0015","33.199","0.008","90","","91.732","0.004","90","","6767","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane","","- C41 H42 N2 O6 -","- C41 H42 N2 O6 -","- C328 H336 N16 O48 -","8","2","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.066","0.0447","","","0.0947","0.1038","","","","","","1.039","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231593","7.45","0.007","7.835","0.007","16.895","0.016","94.3","0.03","93.16","0.017","117.89","0.02","864.6","1.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethane","","- C21 H21 N2 O2 -","- C21 H21 N2 O2 -","- C42 H42 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0601","0.0423","","","0.1035","0.1143","","","","","","1.052","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231594","15.483","0.007","5.745","0.002","19.668","0.008","90","","110.025","0.008","90","","1643.7","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","co-crystal of naproxen and 4,4'-azopyridine","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C76 H72 N8 O12 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.05","0.0381","","","0.0866","0.0921","","","","","","1.048","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231595","6.9225","0.0006","7.7077","0.0006","31.93","0.003","90","","91.279","0.002","90","","1703.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl4 Cu N2 -","- C12 H20 Cl4 Cu N2 -","- C48 H80 Cl16 Cu4 N8 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.1004","0.0862","","","0.1818","0.1884","","","","","","1.259","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231596","21.2189","0.0018","8.7496","0.0008","7.2499","0.0007","90","","94.387","0.004","90","","1342.1","0.2","293","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H18 Cl2 Cu N2 -","- C12 H18 Cl2 Cu N2 -","- C48 H72 Cl8 Cu4 N8 -","4","2","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.7107","MoKα","","0.0929","0.0913","","","0.2411","0.2424","","","","","","1.087","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231597","12.155","0.0008","13.1686","0.0009","20.007","0.0013","90","","93.363","0.002","90","","3196.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl4 Cu2 N5 -","- C26 H39 Cl4 Cu2 N5 -","- C104 H156 Cl16 Cu8 N20 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.0942","0.0684","","","0.1399","0.1521","","","","","","1.195","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231599","18.0496","0.001","8.027","0.0004","20.6646","0.0011","90","","102.221","0.001","90","","2926.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","1","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0433","0.0297","","","0.0654","0.0724","","","","","","1.017","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231600","23.835","0.005","10.0215","0.0019","12.362","0.002","90","","90","","90","","2952.8","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","0.5","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0583","0.0478","","","0.1614","0.1777","","","","","","0.753","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231601","9.711","0.004","16.824","0.007","26.957","0.011","90","","96.816","0.007","90","","4373","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co8 N10 O10 -","- C27.2 H16 Co0.8 N5.6 O5.6 -","- C136 H80 Co4 N28 O28 -","5","1.25","","Wang, Kuaibing; Wang, Xin; Zhang, Dan; Wang, Huijian; Wang, Zikai; Zhao, Minyan; Xi, Rui; Wu, Hua; Zheng, Mingbo","Interpenetrated nano-MOFs for ultrahigh-performance supercapacitors and excellent dye adsorption performance","CrystEngComm","2018","20","43","6940","","10.1039/C8CE01067F","","","0.71073","MoKα","","0.1735","0.1248","","","0.322","0.3633","","","","","","1.065","","","","has coordinates","228952","2020-10-21","18:00:00",""
"7231602","15.715","0.007","23.065","0.009","9.764","0.004","90","","108.308","0.007","90","","3360","2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co N2 O7.5 -","- C29 H30 Co N2 O7.5 -","- C116 H120 Co4 N8 O30 -","4","0.5","","Tan, Huiling; Chen, Qibin; Sheng, Yujie; Li, Xiaoxiao; Liu, Honglai","Guest-induced reversible crystal-to-amorphous-to-crystal transformation in a Co(ii)-based metal‒organic framework","CrystEngComm","2018","20","42","6828","","10.1039/C8CE01324A","","","0.71073","MoKα","","0.1297","0.0606","","","0.1532","0.1914","","","","","","0.884","","","","has coordinates","228966","2020-10-21","18:00:00",""
"7231616","18.5209","0.0003","18.5209","0.0003","39.0171","0.0009","90","","90","","120","","11590.7","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H16 Cu2 N2 O10 -","- C28 H12 Cu2 N2 O10 -","- C252 H108 Cu18 N18 O90 -","9","0.25","","Li, Saidan; Wu, Jing; Gao, Xiaoxia; He, Minghui; Wang, Yao; Wang, Xia; He, Yabing","A NbO-type MOF based on an aromatic-rich and N-functionalized diisophthalate ligand for high-performance acetylene storage and purification","CrystEngComm","2018","20","44","7178","","10.1039/C8CE01585F","","","1.54178","CuKα","","0.0613","0.048","","","0.1413","0.1522","","","","","","1.015","","","","has coordinates","228902","2020-10-21","18:00:00",""
"7231623","13.6619","0.0006","13.1449","0.0006","29.4958","0.001","90","","98.109","0.0015","90","","5244","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S138","","","- C44 H44 Br4 Co3 N6 O9 S2 -","- C44 H44 Br4 Co3 N6 O9 S2 -","- C176 H176 Br16 Co12 N24 O36 S8 -","4","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0378","0.0298","","","0.0608","0.0631","","","","","","1.151","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231624","12.1333","0.0006","12.4014","0.0006","16.1899","0.0008","102.673","0.002","100.042","0.002","100.232","0.002","2280.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S139","","","- C36 H48 Br3 Co2 N15 O3 -","- C36 H48 Br3 Co2 N15 O3 -","- C72 H96 Br6 Co4 N30 O6 -","2","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0324","0.0244","","","0.048","0.0502","","","","","","1.05","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231626","20.8441","0.001","16.0569","0.0008","23.1343","0.0011","90","","114.16","0.0011","90","","7064.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Cl4 Mn7 N21 O26 -","- C42 H64 Cl4 Mn7 N21 O26 -","- C168 H256 Cl16 Mn28 N84 O104 -","4","0.5","","Yang, En-Che; Huang, Han-Sheng; Huang, Shao-Yun; Huang, Shi-Yi; Chang, Yu-Ying; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Chang, Chung-Kai","A one dimensional coordination polymer composed of antiferromagnetically coupled disk-like [Mn7] units","CrystEngComm","2018","20","43","6963","","10.1039/C8CE01374H","","","0.71073","MoKα","","0.0664","0.0527","","","0.1438","0.1529","","","","","","1.038","","","","has coordinates,has disorder","228951","2020-10-21","18:00:00",""
"7231630","23.1181","0.0018","8.8477","0.0008","18.8039","0.0012","90","","90","","90","","3846.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6.33 Eu O10.33 S -","- C8 H6.3332 Eu O10.3333 S -","- C64 H50.6656 Eu8 O82.6664 S8 -","8","0.5","","Yuan, Yue-Ying; Yang, Shuai-Liang; Zhang, Chen-Xi; Wang, Qing-Lun","A new europium metal‒organic framework with both high proton conductivity and highly sensitive detection of ascorbic acid","CrystEngComm","2018","20","43","6989","","10.1039/C8CE01506F","","","0.71073","MoKα","","0.0784","0.0639","","","0.2033","0.2194","","","","","","1.099","","","","has coordinates","228953","2020-10-21","18:00:00",""
"7231631","8.7892","0.0003","7.4533","0.0002","16.4801","0.0004","90","","90","","90","","1079.59","0.05","175","","175","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H4 Na2 O13 Si4 Sn -","- H4 Na2 O13 Si4 Sn -","- H16 Na8 O52 Si16 Sn4 -","4","0.5","","Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.","Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase","CrystEngComm","2018","20","46","7479","","10.1039/C8CE01548A","","","0.71073","MoKα","","0.0735","0.0714","","0.0667","0.0653","0.0653","","","","","","0.8506","","","","has coordinates","229024","2020-10-21","18:00:00",""
"7231632","8.6659","0.0003","43.0938","0.001","22.4966","0.0006","90","","112.628","0.004","90","","7754.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu4 I10 N12 O2 -","- C60 H65 Cu4 I10 N12 O2 -","- C240 H260 Cu16 I40 N48 O8 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0844","0.0795","","","0.2294","0.2373","","","","","","1.07","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231633","20.7409","0.0005","17.1057","0.0003","11.6678","0.0002","90","","90","","90","","4139.59","0.14","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C39 H46 Ag N11 O2 S4 -","- C39 H46 Ag N11 O2 S4 -","- C156 H184 Ag4 N44 O8 S16 -","4","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0769","0.0682","","","0.1866","0.1931","","","","","","1.098","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231634","10.7081","0.0003","16.2105","0.0003","27.427","0.0008","90","","125.51","0.004","90","","3875.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Hg I5 N6 -","- C33 H39 Hg I5 N6 -","- C132 H156 Hg4 I20 N24 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0764","0.0819","","","","","","1.041","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231635","10.0714","0.0005","17.5006","0.0005","10.6518","0.0006","90","","115.604","0.007","90","","1693.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Br2 I N6 O2 -","- C33 H43 Br2 I N6 O2 -","- C66 H86 Br4 I2 N12 O4 -","2","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0846","0.0534","","","0.108","0.1223","","","","","","1.033","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231636","8.7246","0.0003","18.8111","0.0005","11.1783","0.0004","90","","111.852","0.005","90","","1702.76","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 I3 N6 O3 -","- C30 H39 I3 N6 O3 -","- C60 H78 I6 N12 O6 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0637","0.0713","","","","","","1","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231637","8.7292","0.0004","13.9897","0.0006","15.3377","0.0007","90.287","0.003","98.19","0.004","99.191","0.003","1829.38","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 I5 N6 Pb -","- C30 H33 I5 N6 Pb -","- C60 H66 I10 N12 Pb2 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0627","0.0438","","","0.1017","0.1125","","","","","","1.026","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231638","16.6035","0.0005","14.3351","0.0003","17.8354","0.0003","90","","95.774","0.002","90","","4223.52","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cu I4 N7 O -","- C39 H42 Cu I4 N7 O -","- C156 H168 Cu4 I16 N28 O4 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.082","0.0501","","","0.1127","0.1306","","","","","","1.021","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231639","13.34926","0.00019","16.7927","0.0002","36.5631","0.0006","90","","90.0824","0.0013","90","","8196.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 I3 N7 -","- C39 H42 I3 N7 -","- C312 H336 I24 N56 -","8","2","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.1067","0.0771","","","0.2348","0.2618","","","","","","1.042","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231640","11.3449","0.0003","20.7592","0.0006","17.6129","0.0006","90","","90","","90","","4148","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","1","0.125","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0879","0.0926","","","","","","1.053","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231641","15.9746","0.0002","35.124","0.0005","16.4115","0.0002","90","","90","","90","","9208.4","0.2","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C41 H46 Br4.5 Cu1.5 N8 -","- C41 H46 Br4.5 Cu1.5 N8 -","- C328 H368 Br36 Cu12 N64 -","8","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.1331","0.1272","","","0.3477","0.3506","","","","","","1.107","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231642","11.9515","0.0015","4.8375","0.0006","22.198","0.003","90","","103.424","0.002","90","","1248.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","","- C9 H16 N4 Ni O2 S -","- C9 H16 N4 Ni O2 S -","- C36 H64 N16 Ni4 O8 S4 -","4","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0472","0.0449","","","0.1148","0.1164","","","","","","1.083","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231643","9.1756","0.0019","10.59","0.002","9.4434","0.0019","90","","98.876","0.003","90","","906.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","","- C14 H24 N8 Ni O3 -","- C14 H24 N8 Ni O3 -","- C28 H48 N16 Ni2 O6 -","2","0.5","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0222","0.0219","","","0.0567","0.0569","","","","","","1.008","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231644","6.8975","0.0018","9.13","0.002","12.645","0.003","92.821","0.004","92.276","0.004","104.339","0.004","769.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","","- C12 H22 N4 Ni O5 -","- C12 H22 N4 Ni O5 -","- C24 H44 N8 Ni2 O10 -","2","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0356","0.028","","","0.0579","0.0588","","","","","","1.052","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231645","9.2792","0.0006","13.6005","0.0008","21.724","0.0013","90","","95.37","0.001","90","","2729.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","","- C12 H18 N4 Ni O4 -","- C12 H18 N4 Ni O4 -","- C96 H144 N32 Ni8 O32 -","8","2","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0561","0.0364","","","0.0593","0.0628","","","","","","1.057","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231646","12.8048","0.0009","13.6116","0.0009","15.3227","0.0011","79.826","0.002","74.283","0.002","65.695","0.002","2336.5","0.3","296.15","","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0342","0.0288","","","0.0828","0.0859","","","","","","1.035","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231647","13.209","0.0007","12.8421","0.0006","28.4056","0.0014","90","","98.754","0.003","90","","4762.3","0.4","100.01","","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C20 H26 Ce8 Cs5 Na15 O202 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","","0.71073","MoKα","","0.0653","0.0637","","","0.1934","0.1963","","","","","","1.104","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231648","12.7662","0.0004","13.7583","0.0005","15.2105","0.0006","79.276","0.0019","75.0343","0.0017","65.2698","0.0015","2334.97","0.15","99.99","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0337","0.0262","","","0.0586","0.0612","","","","","","1.019","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231649","18.741","0.0011","21.5447","0.0012","30.606","0.0016","70.021","0.003","86.051","0.003","66.33","0.003","10603.4","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce18 Cs6.5 Na14 O364.5 Si8 W72 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.1097","0.0658","","","0.1511","0.1874","","","","","","1.08","","","","has coordinates,has disorder","228904","2020-10-21","18:00:00",""
"7231650","13.5499","0.0003","12.9776","0.0003","26.9266","0.0006","90","","98.2429","0.0013","90","","4686","0.18","100.02","","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C16 H20 Ce8 Na20 O212 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0411","0.0291","","","0.0532","0.0561","","","","","","1.052","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231662","11.7255","0.0006","8.2616","0.0006","10.4236","0.0007","90","","90","","90","","1009.75","0.11","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 Cl N O5 -","- C7 H14 Cl N O5 -","- C28 H56 Cl4 N4 O20 -","4","0.5","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1009","0.0956","","","0.3086","0.3265","","","","","","1.11","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231663","6.4782","0.0008","6.4782","0.0008","6.4782","0.0008","90","","90","","90","","271.87","0.06","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C9.6 Cl O3.9996 -","- C9.6 Cl O3.9996 -","1","0.0208333","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1864","0.1552","","","0.3544","0.3987","","","","","","1.258","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231664","21.635","0.006","22.749","0.006","36.225","0.01","72.345","0.006","81.085","0.007","65.911","0.006","15500","7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C232 H376 N16 O168 Ti32 -","- C202 H268 N16 O138 Ti32 -","- C404 H536 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.0764","0.06","","","0.164","0.1797","","","","","","1.025","","","","has coordinates","228906","2020-10-21","18:00:00",""
"7231665","21.009","0.01","23.513","0.015","44.73","0.02","81.041","0.012","79.236","0.006","66.339","0.011","19802","18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C319 H608 N16 O197 Ti32 -","- C202 H266 N16 O138 Ti32 -","- C404 H532 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.1187","0.0895","","","0.2524","0.2795","","","","","","1.048","","","","has coordinates,has disorder","228906","2020-10-21","18:00:00",""
"7231678","25.132","0.002","13.226","0.0008","15.163","0.0009","90","","99.288","0.005","90","","4974","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zju-41","","- C21 H6 Eu2 N3 O18 -","- C21 H6 Eu2 N3 O18 -","- C84 H24 Eu8 N12 O72 -","4","0.5","","Zhao, Dian; Wang, Huizhen; Qian, Guodong","Synthesis, structure and temperature sensing of a lanthanide-organic framework constructed from a pyridine-containing tetracarboxylic acid ligand","CrystEngComm","2018","20","45","7395","","10.1039/C8CE01649F","","","0.71073","MoKα","","0.1143","0.1069","","","0.3163","0.3246","","","","","","1.083","","","","has coordinates","229135","2020-10-21","18:00:00",""
"7231679","15.8498","0.0012","16.1591","0.0013","23.6701","0.0017","97.696","0.002","92.686","0.002","112.973","0.002","5498.5","0.7","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Co3 N8 O18 -","- C90 H58 Co3 N8 O18 -","- C180 H116 Co6 N16 O36 -","2","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1265","0.0715","","","0.1448","0.1673","","","","","","1.024","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231680","10.2058","0.0005","17.9059","0.0009","14.6501","0.0008","90","","91.812","0.004","90","","2675.9","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Pb -","- C25 H38 Fe N2 P2 Pb -","- C100 H152 Fe4 N8 P8 Pb4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0569","0.039","","","0.0861","0.0942","","","","","","1.068","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231681","10.9718","0.0003","17.9451","0.0006","14.1019","0.0005","90","","101.232","0.002","90","","2723.34","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Si -","- C25 H38 Fe N2 P2 Si -","- C100 H152 Fe4 N8 P8 Si4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0666","0.0479","","","0.1173","0.1275","","","","","","1.04","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231682","65.582","0.004","30.419","0.002","16.9367","0.001","90","","90.001","0.001","90","","33788","4","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H132 Cd6 N16 O42 -","- C188 H132 Cd6 N16 O42 -","- C1504 H1056 Cd48 N128 O336 -","8","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1337","0.087","","","0.1907","0.2232","","","","","","1.077","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231686","13.1669","0.0007","6.3974","0.0004","10.7817","0.0006","90","","90.605","0.001","90","","908.13","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","sarcosine peroxosolvate","N-methylglycine peroxosolvate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C18 H54 N6 O24 -","6","3","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0249","0.0243","","","0.0662","0.0669","","","","","","1.047","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231687","18.7167","0.0005","18.7167","0.0005","5.7741","0.0003","90","","90","","90","","2022.75","0.13","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-phenylserine peroxosolvate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C72 H104 N8 O40 -","8","1","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0368","0.0299","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231701","7.12752","0.00019","17.6661","0.0004","13.3872","0.0003","90","","93.272","0.003","90","","1682.91","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Bi Br2 Cl4 N2 -","- C10 H9 Bi Br2 Cl4 N2 -","- C40 H36 Bi4 Br8 Cl16 N8 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.038","0.0292","","","0.0564","0.0595","","","","","","1.061","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231702","21.9138","0.0009","8.3002","0.0003","11.1021","0.0004","90","","90","","90","","2019.35","0.13","130","2","130","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H14 Bi Br2 Cl5 N2 -","- C12 H14 Bi Br2 Cl5 N2 -","- C48 H56 Bi4 Br8 Cl20 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0329","0.0249","","","0.0495","0.0522","","","","","","1.05","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231703","9.1733","0.0003","10.5445","0.0003","10.733","0.0004","100.26","0.003","97.127","0.003","108.312","0.003","951.67","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi Br7 N2 -","- C10 H10 Bi Br7 N2 -","- C20 H20 Bi2 Br14 N4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.039","0.0301","","","0.0525","0.056","","","","","","1.013","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231704","8.2817","0.0004","20.8514","0.0011","12.0986","0.0005","90","","90","","90","","2089.25","0.17","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Bi Br7 N2 O -","- C10 H10 Bi Br7 N2 O -","- C40 H40 Bi4 Br28 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0899","0.0929","","","","","","1.035","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231705","5.5707","0.0003","15.775","0.0008","10.517","0.0006","90","","104.307","0.005","90","","895.55","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Bi Br2 Cl5 N2 -","- C10 H10 Bi Br2 Cl5 N2 -","- C20 H20 Bi2 Br4 Cl10 N4 -","2","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0465","0.0353","","","0.0762","0.0814","","","","","","1.051","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231706","9.322","0.0003","20.3199","0.0007","9.6981","0.0003","90","","100.515","0.003","90","","1806.19","0.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Bi2 Br12 N3 O3 -","- C15 H15 Bi2 Br12 N3 O3 -","- C30 H30 Bi4 Br24 N6 O6 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0479","0.0423","","","0.0845","0.0883","","","","","","1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231707","8.1878","0.0007","12.1235","0.0009","19.5314","0.0015","90","","99.969","0.008","90","","1909.5","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Bi2 Br12 N3 O2 -","- C18 H21 Bi2 Br12 N3 O2 -","- C36 H42 Bi4 Br24 N6 O4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0533","0.0481","","","0.0991","0.105","","","","","","1.078","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231708","11.5904","0.0007","7.6333","0.0004","21.9998","0.0011","90","","96.548","0.005","90","","1933.69","0.18","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Bi Br2 Cl5 N2 O -","- C10 H10 Bi Br2 Cl5 N2 O -","- C40 H40 Bi4 Br8 Cl20 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0431","0.0344","","","0.075","0.079","","","","","","1.1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231709","8.8204","0.0004","10.4344","0.0004","10.4924","0.0004","99.47","0.003","97.092","0.004","108.757","0.004","885.7","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","1","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0445","0.0363","","","0.0627","0.068","","","","","","1.03","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231711","13.407","0.005","14.365","0.005","35.826","0.013","90","","90","","90","","6900","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H68 N11 Ni7 O51 P W9 -","- C18 H31 N11 Ni7 O45 P W9 -","- C72 H124 N44 Ni28 O180 P4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.0592","0.0436","","","0.0923","0.0989","","","","","","1.009","","","","has coordinates,has disorder","229028","2020-10-21","18:00:00",""
"7231712","12.947","0.003","20.737","0.005","22.751","0.004","97.442","0.01","90.63","0.009","93.308","0.01","6046","2","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H69 N10 Na Ni7 O91 P2 W21 -","- C18 H24 N10 Na Ni7 O91 P2 W21 -","- C36 H48 N20 Na2 Ni14 O182 P4 W42 -","2","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.1247","0.0893","","","0.2191","0.2539","","","","","","1.03","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231713","13.28","0.004","19.351","0.006","23.254","0.007","90","","90","","90","","5976","3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H49 N6 Ni6 O50 P S W9 -","- C12 H20 N6 Ni6 O45 P S W9 -","- C48 H80 N24 Ni24 O180 P4 S4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.068","0.0546","","","0.1364","0.1442","","","","","","1.023","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231723","6.1995","0.0013","10.621","0.002","10.8086","0.0017","73.54","0.016","87.889","0.015","74.954","0.018","658.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Li O5 S -","- C12 H11 Li O5 S -","- C24 H22 Li2 O10 S2 -","2","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0923","0.0807","","","0.1947","0.2114","","","","","","1.034","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231724","23.135","0.002","18.519","0.002","5.9607","0.0006","90","","90","","90","","2553.8","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 K O9 S2 -","- C24 H21 K O9 S2 -","- C96 H84 K4 O36 S8 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0805","0.0578","","","0.0996","0.112","","","","","","1.053","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231725","5.8453","0.0004","20.2492","0.0013","16.2705","0.0015","90","","98.81","0.007","90","","1903.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cs O6 S -","- C15 H19 Cs O6 S -","- C60 H76 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0903","0.0637","","","0.1746","0.1977","","","","","","1.023","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231726","5.8479","0.0008","19.8676","0.0018","15.163","0.002","90","","94.894","0.014","90","","1755.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cs O6 S -","- C14 H15 Cs O6 S -","- C56 H60 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0978","0.0706","","","0.1571","0.1808","","","","","","1.081","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231727","10.415","0.0006","20.769","0.0011","6.1304","0.0004","90","","90.375","0.006","90","","1326.03","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Na O5 S -","- C12 H11 Na O5 S -","- C48 H44 Na4 O20 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0732","0.0674","","","0.1706","0.1732","","","","","","1.058","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231728","12.4476","0.0009","13.9099","0.0008","7.1","0.0005","90","","90","","90","","1229.33","0.14","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Ca O4 S -","- C12 H8 Ca O4 S -","- C48 H32 Ca4 O16 S4 -","4","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0544","0.0462","","","0.1593","0.1659","","","","","","1.05","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231729","13.1788","0.0005","13.052","0.0003","25.6276","0.0009","90","","103.014","0.004","90","","4295","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Mg O22 S3 -","- C36 H48 Mg O22 S3 -","- C144 H192 Mg4 O88 S12 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0948","0.066","","","0.1178","0.138","","","","","","1.017","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231730","5.6916","0.001","11.2202","0.0013","12.0632","0.0014","106.848","0.01","99.54","0.012","94.197","0.012","721.08","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","1","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0895","0.0652","","","0.1752","0.2001","","","","","","1.075","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231731","17.1688","0.001","17.1688","0.001","16.0605","0.0011","90","","90","","90","","4734.1","0.5","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 Ba2 O32 S8 -","- C96 H76 Ba2 O32 S8 -","- C192 H152 Ba4 O64 S16 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0861","0.0845","","","0.2259","0.2279","","","","","","1.062","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231732","20.2502","0.0009","5.6487","0.0002","26.7408","0.0011","90","","111.037","0.005","90","","2854.9","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ba2 O11 S2 -","- C26 H26 Ba2 O11 S2 -","- C104 H104 Ba8 O44 S8 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0385","0.0325","","","0.0683","0.0718","","","","","","1.072","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231733","5.6083","0.0003","18.9927","0.0013","13.8433","0.0009","90","","93.795","0.005","90","","1471.31","0.16","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O6 S Sr -","- C12 H12 O6 S Sr -","- C48 H48 O24 S4 Sr4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0852","0.0533","","","0.1136","0.1397","","","","","","1.053","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231734","16.9794","0.0008","16.9794","0.0008","15.815","0.0011","90","","90","","90","","4559.5","0.4","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 O32 S8 Sr2 -","- C96 H76 O32 S8 Sr2 -","- C192 H152 O64 S16 Sr4 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0959","0.0623","","","0.1501","0.1708","","","","","","1.004","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231735","5.9689","0.0003","18.6102","0.0007","11.605","0.0006","90","","94.291","0.004","90","","1285.5","0.1","295","2","295","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 Mg O5 S -","- C12 H10 Mg O5 S -","- C48 H40 Mg4 O20 S4 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0515","0.0382","","","0.091","0.0993","","","","","","1.025","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231738","7.3825","0.0004","8.417","0.0004","8.8371","0.0004","113.255","0.001","105.18","0.001","95.99","0.002","473.36","0.04","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","3-(3-methylimidazolium-1-yl)propanoate dihydrate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C14 H28 N4 O8 -","2","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0373","0.0342","","","0.0911","0.0937","","","","","","1.073","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231739","6.6643","0.0004","8.7065","0.0005","12.8","0.0008","90","","90","","90","","742.69","0.08","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-methylimidazolium-1-yl)propanoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0274","0.0266","","","0.0707","0.0712","","","","","","1.087","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231740","7.7258","0.0007","12.6758","0.0012","8.8421","0.0009","90","","105.55","0.01","90","","834.22","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-methylimidazolium-1-yl)propanoate monohydrate","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.042","0.0337","","","0.0807","0.0855","","","","","","1.046","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231741","20.1911","0.0009","7.9146","0.0003","22.5627","0.0011","90","","92.268","0.002","90","","3602.8","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1 (2 carboxyethyl)-3-methylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C112 H176 Cl16 N32 O32 -","16","2","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0715","0.0733","","","","","","1.033","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231742","11.454","0.002","16.08","0.003","13.689","0.002","90","","103.293","0.003","90","","2453.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Eu2 N8 O14 -","- C50 H42 Eu2 N8 O14 -","- C100 H84 Eu4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0514","0.0355","","","0.0796","0.0873","","","","","","1.048","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231743","15.764","0.008","7.932","0.004","18.869","0.009","90","","91.802","0.008","90","","2358","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N5 O7 Tb -","- C23 H16 N5 O7 Tb -","- C92 H64 N20 O28 Tb4 -","4","1","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0884","0.0537","","","0.1431","0.166","","","","","","1.037","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231744","11.4496","0.0019","16.139","0.003","13.595","0.002","90","","103.261","0.003","90","","2445.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N8 O14 Tb2 -","- C50 H42 N8 O14 Tb2 -","- C100 H84 N16 O28 Tb4 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0757","0.0415","","","0.0843","0.0975","","","","","","0.996","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231745","11.4127","0.0019","16.033","0.003","13.543","0.002","90","","103.302","0.003","90","","2411.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Dy2 N8 O14 -","- C50 H42 Dy2 N8 O14 -","- C100 H84 Dy4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.073","0.0416","","","0.0876","0.1017","","","","","","0.982","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231746","10.9477","0.0005","12.6996","0.0005","12.7984","0.0004","110.328","0.003","100.145","0.003","108.53","0.004","1497.64","0.13","296.62","0.1","296.62","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 Cd N6 O8 -","- C32 H22 Cd N6 O8 -","- C64 H44 Cd2 N12 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0277","0.0242","","","0.0624","0.0647","","","","","","1.056","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231747","11.2419","0.0004","12.472","0.0004","12.7658","0.0004","112.81","0.003","98.524","0.003","107.333","0.003","1502.58","0.11","292.14","0.1","292.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Cd N7 O8 -","- C32 H20 Cd N7 O8 -","- C64 H40 Cd2 N14 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","0.71","MoKα","","0.0298","0.0277","","","0.0737","0.0753","","","","","","1.092","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231748","8.9688","0.0002","13.3571","0.0003","13.4352","0.0003","90","","102.071","0.002","90","","1573.91","0.06","296.61","0.1","296.61","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H26 Cd N6 O9 -","- C36 H26 Cd N6 O9 -","- C72 H52 Cd2 N12 O18 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0295","0.0257","","","0.0644","0.0677","","","","","","1.06","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231749","9.66","0.0011","22.258","0.003","11.3838","0.0013","90","","106.975","0.002","90","","2341","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0585","0.0405","","","0.0947","0.1014","","","","","","1.088","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231750","11.117","0.001","11.2139","0.001","13.6948","0.0012","104.059","0.001","100.259","0.001","93.09","0.002","1621.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O13 Pb2 -","- C24 H11 N O9 Pb2 -","- C48 H22 N2 O18 Pb4 -","2","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0742","0.0562","","","0.1677","0.1823","","","","","","1.079","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231751","14.751","0.005","12.781","0.005","11.161","0.005","90","","90","","90","","2104.2","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 Mn N O9 -","- C24 H19 Mn N O9 -","- C96 H76 Mn4 N4 O36 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71069","MoKα","","0.0484","0.0358","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231752","10.8479","0.0018","20.105","0.003","22.305","0.004","90","","90","","90","","4864.7","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cd N O11 -","- C24 H23 Cd N O11 -","- C192 H184 Cd8 N8 O88 -","8","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0789","0.0869","","","","","","1.023","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231753","9.5199","0.0007","10.2672","0.0006","12.5352","0.0008","84.614","0.005","70.854","0.006","80.244","0.005","1139.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Cu2 N9 S3 -","- C23 H12 Cu2 N9 S3 -","- C46 H24 Cu4 N18 S6 -","2","1","","Li, Meng-Hua; You, Ming-Hua; Zhang, Jiang-Yan; Xiao, Wang-Chuan; Lin, Mei-Jin","A bicontinuous donor‒acceptor hybrid heterostructure based on coordination and cation‒π interactions","CrystEngComm","2018","20","48","7795","","10.1039/C8CE01526K","","x-ray","0.71073","MoKα","","0.0564","0.0497","","","0.1563","0.1664","","","","","","1.055","","","","has coordinates","229049","2020-10-21","18:00:00",""
"7231764","8.408","0.005","20.812","0.005","12.279","0.005","90","0.005","97.875","0.005","90","0.005","2128.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N4 O5 Zn -","- C20 H17 N4 O5 Zn -","- C80 H68 N16 O20 Zn4 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0672","0.0595","","","0.1449","0.1535","","","","","","1.064","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231765","13.7262","0.0013","20.841","0.002","18.9308","0.0018","90","","90","","90","","5415.5","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H25 Co N4 O9 -","- C26 H17 Co N4 O5 -","- C208 H136 Co8 N32 O40 -","8","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0843","0.0704","","","0.2159","0.2253","","","","","","1.046","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231766","20.946","0.002","21.777","0.003","19.067","0.002","90","","102.325","0.002","90","","8496.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 N18 O23 Zn4 -","- C84 H54 N18 O23 Zn4 -","- C336 H216 N72 O92 Zn16 -","4","0.5","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71069","MoKα","","0.0743","0.0592","","","0.1606","0.172","","","","","","0.981","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231767","16.0554","0.0018","16.5185","0.0017","19.99","0.002","90","","93.14","0.002","90","","5293.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N8 O16 Zn2 -","- C54 H34 N8 O16 Zn2 -","- C216 H136 N32 O64 Zn8 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0701","0.0525","","","0.1343","0.1444","","","","","","1.052","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231768","12.4801","0.0001","23.2176","0.0002","23.4275","0.0003","90","","90","","90","","6788.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/(-)-ephedrine complex","","","- C56 H85 Cl2 N26 O22.6 -","- C56 H80 Cl2 N26 O22.621 -","- C224 H320 Cl8 N104 O90.484 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","0.71073","MoKα","","0.0652","0.0539","","","0.1211","0.1284","","","","","","1.09","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231769","14.3239","0.0007","20.8368","0.0007","12.9299","0.0006","90","","108.378","0.005","90","","3662.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cucurbit[6]uril/(±)-synephrine complex","","","- C54 H92 Cl2 N26 O30 -","- C54 H72 Cl2 N26 O30 -","- C108 H144 Cl4 N52 O60 -","2","0.5","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.0723","0.0692","","","0.1907","0.1933","","","","","","1.044","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231770","50.127","0.009","50.127","0.009","12.4583","0.0004","90","","90","","120","","27110","7","100","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/(±)-octopamine complex","","","- C44 H72.67 Cl N25 O26.33 -","- C44 H48 Cl N25 O26.3333 -","- C792 H864 Cl18 N450 O474 -","18","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.2244","0.1243","","","0.2721","0.3121","","","","","","1.007","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231771","12.6334","0.0003","16.0589","0.0004","30.9023","0.0008","90","","99.95","0.003","90","","6175.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H73.4 Cl3 Mg N25 O26.7 -","- C44 H48 Cl3 Mg N25 O26.7 -","- C176 H192 Cl12 Mg4 N100 O106.8 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.153","0.114","","","0.3056","0.333","","","","","","1.038","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231788","20.93","0.006","21.739","0.002","30.936","0.002","90","","90","","90","","14076","4","10","2","10","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C405.8 H194.16 Ag8 Al8 Cl11.6 F288 Mo32 N8 O96 P32 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","0.6702","synchrotron","","0.0536","0.0493","","","0.1332","0.1376","","","","","","1.069","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231789","18.1526","0.0009","18.9664","0.0007","18.8938","0.0008","90","","110.424","0.006","90","","6096","0.5","123","0.3","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C164.8 H81.6 Ag4 Al4 Cl9.6 F144 Mo8 N8 O32 P8 -","2","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0867","0.0557","","","0.1453","0.1536","","","","","","0.964","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231790","15.4197","0.0005","15.8109","0.0005","17.58","0.0006","107.136","0.003","92.394","0.003","90.977","0.002","4090.2","0.2","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","1","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0908","0.0764","","","0.2287","0.2417","","","","","","1.079","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231791","28.6833","0.0002","25.7478","0.0002","15.8316","0.0001","90","","90","","90","","11692.1","0.14","123","2","123","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C328 H160 Ag8 Al8 Cl16 F288 Mo16 N16 O64 P16 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0435","0.043","","","0.1161","0.1165","","","","","","1.058","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231797","3.8347","0.0009","7.258","0.0003","16.5477","0.0002","90","","90","","93.41","0.008","459.74","0.11","298","","298","","","","","","","","","5","P 1 1 21","P 2c","4","catena-dibromo-bis(3-cyanopyridine)manganat","catena-dibromo-(3-cyanopyridine)manganat","","- C6 H4 Br2 Mn N2 -","- C6 H4 Br2 Mn N2 -","- C12 H8 Br4 Mn2 N4 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00944","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:21",""
"7231798","10.9722","0.0009","10.9722","0.0009","10.46","0.0003","90","","90","","90","","1259.27","0.15","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","NiBr2(3cypy)4","- C24 H16 Br2 N8 Ni -","- C24 H16 Br2 N8 Ni -","- C48 H32 Br4 N16 Ni2 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0044","1.856","","","","","","","has coordinates","287932","2023-12-01","13:55:24",""
"7231799","3.757","0.001","13.625","0.001","13.868","0.007","87.377","0.002","82.344","0.002","82.405","0.001","697.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)cobaltat","beta-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231800","27.019","0.0016","7.1242","0.0009","3.7597","0.0005","90","","90","","90","","723.7","0.14","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)cobaltat","alpha-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231801","11.2178","0.0005","11.2178","0.0005","10.3309","0.0006","90","","90","","90","","1300.03","0.11","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)manganat","Dibromo-tetra(3-cyanopyridine)manganat","MnBr2(3-cypy)4","- C24 H16 Br2 Mn N8 -","- C24 H16 Br2 Mn N8 -","- C48 H32 Br4 Mn2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00933","1.04","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231802","27.30464","0.00039","7.221904","0.000094","3.829715","0.000043","90","","90","","90","","755.187","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-di(3-cyanopyridine)manganat","Catena-dibromo-di(3-cyanopyridine)manganat","","- C12 H8 Br2 Mn N4 -","- C12 H8 Br2 Mn N4 -","- C24 H16 Br4 Mn2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01039","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231803","3.709","0.001","26.801","0.004","13.706","0.008","90","","97.678","0.006","90","","1350.2","0.9","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","Dibromo-bis(3-cyanopyridine)nickelat","alpha-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C48 H32 Br8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00446","1.825","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231804","11.0587","0.0004","11.0587","0.0004","10.4149","0.0005","90","","90","","90","","1273.69","0.09","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","CoBr2(3cypy)4","- C24 H16 Br2 Co N8 -","- C24 H16 Br2 Co N8 -","- C48 H32 Br4 Co2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01015","1.162","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231805","3.70154","0.00003","7.20487","0.00008","16.0004","0.00017","90","","90","","90","","426.716","0.007","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)nickel","catena-dibromo-(3-cyanopyridine)nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00547","1.282","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231806","27.128","0.005","7.1722","0.0014","3.7881","0.0006","90","","90","","90","","737","0.2","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)iron","Catena-dibromo-bis(3-cyanopyridine)iron","","- C12 H8 Br2 Fe N4 -","- C12 H8 Br2 Fe N4 -","- C24 H16 Br4 Fe2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01191","1.127","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231807","3.7274","0.0002","13.574","0.009","13.761","0.006","86.862","0.002","82.401","0.009","82.12","0.001","683.1","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)nickelat","beta-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00498","1.737","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231808","3.772","0.002","7.251","0.002","16.31","0.008","90","","90","","90","","446.1","0.3","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)ferrat","catena-dibromo-(3-cyanopyridine)ferrat","","- C6 H4 Br2 Fe N2 -","- C6 H4 Br2 Fe N2 -","- C12 H8 Br4 Fe2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01075","1.218","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7233967","12.9559","0.0011","13.1179","0.0011","13.9892","0.0012","84.578","0.001","89.75","0.001","64.391","0.001","2132.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","1","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0491","0.038","","","0.0932","0.0993","","","","","","1.032","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233968","22.416","0.005","13.164","0.003","22.722","0.005","90","","105.03","0.03","90","","6476","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cu3 Mo8 N8 O45 P V6 -","- C36 H40 Cu3 Mo8 N8 O45 P V6 -","- C144 H160 Cu12 Mo32 N32 O180 P4 V24 -","4","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0565","0.049","","","0.1305","0.1353","","","","","","1.074","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233969","17.1154","0.0005","19.6453","0.0006","27.0729","0.0006","90","","100.26","0.002","90","","8957.4","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Cl Cu4 Mo9 N12 O50 P V5 -","- C62 H48 Cl Cu4 Mo9 N12 O50 P V5 -","- C248 H192 Cl4 Cu16 Mo36 N48 O200 P4 V20 -","4","1","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.1099","0.0477","","","0.111","0.1447","","","","","","1.029","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7235070","5.7721","0.0007","12.3373","0.0015","24.977","0.003","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0319","0.0275","","","0.0626","0.0648","","","","","","1.045","","","","has coordinates","227779","2020-10-21","18:00:00",""
"7235071","11.8073","0.0017","5.8122","0.0008","13.3488","0.0019","90","","97.844","0.002","90","","907.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N3 O4 -","- C18 H18 F3 N3 O4 -","- C36 H36 F6 N6 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0568","0.0514","","","0.1364","0.1409","","","","","","1.062","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235072","9.2716","0.0009","5.2277","0.0005","20.3473","0.0019","90","","102.235","0.001","90","","963.82","0.16","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl2 N2 O4 -","- C19 H20 Cl2 N2 O4 -","- C38 H40 Cl4 N4 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0307","0.0278","","","0.065","0.0667","","","","","","1.045","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235073","13.97927","0.00015","8.5583","0.0001","14.15242","0.00018","90","","94.8011","0.0006","90","","1687.24","0.03","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Samarium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Sm2 Sr3 -","- Ge6 O18 Sm2.0007 Sr2.9993 -","- Ge24 O72 Sm8.0028 Sr11.9972 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02579","","1.56","","","","","","","has coordinates","227782","2020-10-21","18:00:00",""
"7235074","14.13472","0.00007","8.1969","0.00005","15.59089","0.0001","90","","90.9492","0.0005","90","","1806.13","0.018","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Praseodymium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Pr2 Sr3 -","- Ge6 O18 Pr2.0014 Sr2.9986 -","- Ge24 O72 Pr8.0056 Sr11.9944 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02287","","1.93","","","","","","","has coordinates","227783","2020-10-21","18:00:00",""
"7235075","13.95607","0.00019","8.56647","0.00013","14.03679","0.00023","90","","95.1018","0.0008","90","","1671.51","0.04","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Gadolinium Germanate","Tristrontium Bidysprosium Bisilicate","","- Gd2 Ge6 O18 Sr3 -","- Gd1.9996 Ge6 O18 Sr3.0004 -","- Gd7.9984 Ge24 O72 Sr12.0016 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03421","","1.95","","","","","","","has coordinates","227785","2020-10-21","18:00:00",""
"7235076","14.18247","0.00008","8.24753","0.00005","15.65517","0.0001","90","","90.6279","0.0004","90","","1831.08","0.019","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Lanthanum Germanate","","","- Ge6 La2 O18 Sr3 -","- Ge6 La2.001 O18 Sr2.999 -","- Ge24 La8.004 O72 Sr11.996 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02564","","1.43","","","","","","","has coordinates","227786","2020-10-21","18:00:00",""
"7235077","13.97546","0.00022","8.56246","0.00015","14.08676","0.00027","90","","94.9703","0.0009","90","","1679.34","0.05","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Europium Germanate","Tristrontium Bidysprosium Bisilicate","","- Eu2 Ge6 O18 Sr3 -","- Eu2 Ge6 O18 Sr3 -","- Eu8 Ge24 O72 Sr12 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03945","","2.03","","","","","","","has coordinates","227787","2020-10-21","18:00:00",""
"7235078","14.514","0.001","4.8442","0.0019","19.19","0.006","90","","120.54","0.02","90","","1162.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N8 Zn -","- C32 H16 N8 Zn -","- C64 H32 N16 Zn2 -","2","0.5","","Li, Dapeng; Ge, Suxiang; Yuan, Tianci; Gong, Jingjing; Huang, Baojun; Tie, Weiwei; He, Weiwei","Green synthesis and characterization of crystalline zinc phthalocyanine and cobalt phthalocyanine prisms by a simple solvothermal route","CrystEngComm","2018","20","19","2749","","10.1039/C8CE00215K","","","0.71073","MoKα","","0.0598","0.0402","","","0.0778","0.0837","","","","","","1.047","","","","has coordinates","227791","2020-10-21","18:00:00",""
"7235079","5.9014","0.0004","9.2693","0.0007","9.5123","0.0007","85.902","0.004","77.676","0.005","85.588","0.006","506.03","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C5 Li N O6 P2 -","- C5 Li N O6 P2 -","- C10 Li2 N2 O12 P4 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","powder diffraction","x-ray","0.18972","","","","","","","","","0.06962","","12.37","","","","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235080","7.7178","0.0001","33.0373","0.0004","11.7577","0.0001","90","","103.709","0.001","90","","2912.52","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H42 K2 N2 O20 P4 -","- C10 H42 K2 N2 O20 P4 -","- C40 H168 K8 N8 O80 P16 -","4","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0393","0.0287","","","0.0666","0.0714","","","","","","1.036","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235081","5.9728","0.0006","9.4557","0.0009","11.0182","0.0011","74.418","0.007","76.17","0.007","84.313","0.007","581.62","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0903","0.0578","","","0.1399","0.1596","","","","","","0.985","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235082","7.6682","0.0001","11.5335","0.0001","18.0768","0.0002","97.378","0.001","94.792","0.001","101.705","0.001","1542.61","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H48 N2 Na2 O23 P4 -","- C10 H48 N2 Na2 O23 P4 -","- C20 H96 N4 Na4 O46 P8 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0527","0.0368","","","0.0905","0.0981","","","","","","1.052","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235083","6.1431","0.0001","14.1093","0.0002","28.9515","0.0004","90","","94.016","0.001","90","","2503.2","0.06","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H35 N2 O16 P4 Rb -","- C10 H35 N2 O16 P4 Rb -","- C40 H140 N8 O64 P16 Rb4 -","4","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0436","0.0328","","","0.0791","0.0838","","","","","","1.039","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235084","6.0072","0.0002","7.6864","0.0002","14.825","0.0004","86.677","0.002","78.906","0.002","67.611","0.002","621.01","0.03","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.058","0.0344","","","0.0676","0.0759","","","","","","1.024","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235085","13.7405","0.0007","10.3343","0.0006","12.1024","0.0007","90","","90","","90","","1718.52","0.17","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- water (1/8)]","","- C20 H36 Cl4 Cu2 N20 O8 -","- C20 H20 Cl4 Cu2 N20 O7.9998 -","- C40 H40 Cl8 Cu4 N40 O15.9996 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1138","0.0521","","","0.1039","0.1118","","","","","","0.915","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235086","10.6365","0.0002","13.2099","0.0001","7.3378","0.0001","90","","110.057","0.002","90","","968.48","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tetraaquabis(6-chloropurinato-kN9)cobalt(II)] dihydrate","","- C10 H20 Cl2 Co N8 O8 -","- C10 H20 Cl2 Co N8 O8 -","- C20 H40 Cl4 Co2 N16 O16 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0276","0.025","","","0.0602","0.0617","","","","","","1.075","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235087","7.8461","0.0005","8.759","0.0005","13.1716","0.0008","79.157","0.005","77.23","0.005","78.526","0.005","855.28","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(guanine-KN9)bis(guaninium-KN9)bis(mu-chlorido)bis(chlorido)aquadicopper(II)tetrachloridocuprate(II)","","- C20 H24 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","1.54184","CuKα","","0.0744","0.056","","","0.1487","0.1629","","","","","","1.05","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235088","11.388","0.0014","6.7307","0.0007","14.9009","0.0019","90","","109.96","0.014","90","","1073.5","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","[tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate","","- C12 H26 Cl2 Co N10 O6 -","- C12 H26 Cl2 Co N10 O6 -","- C24 H52 Cl4 Co2 N20 O12 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0287","0.026","","","0.06","0.0618","","","","","","1.07","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235089","7.203","0.002","9.52","0.003","9.659","0.004","82.49","0.02","69.47","0.02","77.59","0.04","604.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","(mu-adenine-1kN3:3kN9)(mu-adenine-2kN3:3kN9)bis(mu-chlorido-1kCl:3kCl)bis(mu-chlorido-2kCl:3kCl)di(chlorido-1kCl,2kCl)tetra(aqua-1k2O,2k2O)tricobalt(II)dihydrate","","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0388","0.0288","","","0.0666","0.0681","","","","","","0.96","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235090","7.3349","0.0008","8.5513","0.0008","16.8119","0.0012","94.649","0.007","93.046","0.007","99.041","0.008","1035.64","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[tetrakis(mu-acetato-kO:kO')(mu-9-methyladenine-kN1:kN7)dicopper(II)].methanol (1/1)","","- C15 H23 Cu2 N5 O9 -","- C15 H23 Cu2 N5 O9 -","- C30 H46 Cu4 N10 O18 -","2","1","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1019","0.0635","","","0.108","0.1231","","","","","","1.083","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235091","5.9273","0.0002","8.7713","0.0005","28.0747","0.0015","90","","90","","90","","1459.61","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-naproxen ethanol solvate","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.71073","MoKα","","0.0513","0.0424","","","0.1029","0.1103","","","","","","1.099","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235092","5.84172","0.00009","8.98394","0.00013","45.6816","0.0008","90","","90","","90","","2397.45","0.07","407","","407","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen L-proline 1:2 cocrystal","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid);","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.708","synchrotron","","","","","","","","","4.228","4.12","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235093","12.9532","0.0004","5.76337","0.00015","25.2764","0.0006","90","","93.984","0.003","90","","1882.43","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 RS-naproxen D-proline cocrystal methanol solvate","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; bis((2R)-pyrrolidine-2-carboxylic acid); (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; methanol","","- C39 H50 N2 O11 -","- C39 H50 N2 O11 -","- C78 H100 N4 O22 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0593","0.0514","","","0.1428","0.1532","","","","","","1.04","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235094","34.537","0.004","9.0077","0.0008","5.7183","0.0005","90","","90","","90","","1779","0.3","428","","428","","","","","","","","","4","P n a 21","P 2c -2n","33","RS-naproxen DL-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","8.76","72.47","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235095","8.84337","0.00019","5.8351","0.00015","33.6766","0.0007","90","","91.9839","0.0019","90","","1736.74","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen DL-proline 1:1 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) 2R)-pyrrolidin-1-ium-2-carboxylate 2S)-pyrrolidin-1-ium-2-carboxylate","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.052","0.0474","","","0.127","0.1336","","","","","","1.035","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235096","5.8836","0.0007","9.0952","0.0018","44.047","0.01","90","","90","","90","","2357.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen DL-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.1036","0.0607","","","0.122","0.1475","","","","","","0.979","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235097","5.7018","0.0001","18.8609","0.0003","37.2392","0.0005","90","","90","","90","","4004.74","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 2:3 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) tris((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C43 H55 N3 O12 -","- C43 H55 N3 O12 -","- C172 H220 N12 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.82656","synchrotron","","0.0937","0.0642","","","0.1443","0.1729","","","","","","0.954","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235098","6.06468","0.00013","12.2629","0.0003","50.629","0.0015","90","","90","","90","","3765.31","0.17","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 S-naproxen DL-proline cocrystal hydrate","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid); (2R)-pyrrolidin-1-ium-2-carboxylate; (2S)-pyrrolidin-1-ium-2-carboxylate; water","","- C38 H50 N2 O12 -","- C38 H50 N2 O12 -","- C152 H200 N8 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.798","synchrotron","","","","","","","","","2.59","22.67","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235099","5.8816","0.00007","8.79809","0.0001","45.4679","0.0005","90","","90","","90","","2352.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0415","0.0404","","","0.1094","0.111","","","","","","1.034","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235100","16.2991","0.0007","5.8654","0.0003","18.6876","0.0009","90","","100.052","0.004","90","","1759.12","0.15","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen L-proline 1:1 cocrystal, polymorph II","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.776188","synchrotron","","","","","","","","","16.66","22.3","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235101","12.5901","0.0006","5.7587","0.0003","51.425","0.003","90","","90","","90","","3728.4","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen D-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C152 H184 N8 O40 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","1.0007","synchrotron","","","","","","","","","12.489","36.98","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235102","12.1578","0.0005","5.8278","0.0002","25.6828","0.0014","90","","98.762","0.005","90","","1798.47","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen D-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph I","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0756","0.064","","","0.1847","0.1964","","","","","","1.058","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235103","9.9964","0.0003","9.0958","0.0004","39.9654","0.0015","90","","90","","90","","3633.9","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RS-naproxen DL-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0579","0.0397","","","0.0952","0.1074","","","","","","1.06","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235104","12.705","0.002","5.7631","0.0008","25","0.005","90","","95.041","0.011","90","","1823.4","0.5","402","","402","","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen L-proline 1:1 cocrystal, polymorph III","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","7.117","62.48","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235105","13.7835","0.0012","8.0156","0.0007","18.7113","0.0016","90","","107.462","0.001","90","","1972","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cimetidinium fumarate acetonitrile solvate","","- C15 H21.5 N6.5 O4 S -","- C15 H21.5 N6.5 O4 S -","- C60 H86 N26 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","","","0.71073","MoKα","","0.0452","0.0373","","","0.0902","0.0942","","","","","","1.041","","","","has coordinates,has disorder","227796","2020-10-21","18:00:00",""
"7235106","7.90643","0.00032","8.3568","0.0004","14.2156","0.0005","87.61","0.0033","75.2582","0.003","76.179","0.005","881.86","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","cimetidinium fumarate","cimetidinium fumarate polymorph 1","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C28 H40 N12 O8 S2 -","2","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08581","","1.41","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235107","13.77","0.001","8.0432","0.0005","18.9493","0.001","90","","107.419","0.004","90","","2002.5","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cimetidinium fumarate","cimetidinium fumarate polymorph 2","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C56 H80 N24 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05417","","1.14","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7237064","12.783","0.003","41.28","0.008","8.161","0.0016","90","","90","","90","","4306.4","1.6","296","2","296","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C13 H5 Mn N O4 -","- C13 H5 Mn N O4 -","- C208 H80 Mn16 N16 O64 -","16","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0825","0.0682","","","0.2047","0.2418","","","","","","1.008","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237065","8.6821","0.0006","10.2379","0.0007","12.094","0.0009","68.497","0.002","84.952","0.002","89.683","0.002","995.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","1","0.5","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0854","0.0505","","","0.1151","0.1292","","","","","","1.015","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237066","13.2825","0.0007","16.7322","0.001","17.9666","0.0011","90","","90","","90","","3993","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 Mn2 N8 O10 -","- C44 H38 Mn2 N8 O10 -","- C176 H152 Mn8 N32 O40 -","4","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.1849","0.0684","","","0.0788","0.1016","","","","","","1","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237067","10.109","0.005","10.461","0.005","12.102","0.006","67.592","0.007","68.056","0.007","84.45","0.007","1095.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N5 O5 -","- C20 H13 Mn N4 O4 -","- C40 H26 Mn2 N8 O8 -","2","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0541","0.0382","","","0.0878","0.094","","","","","","1.052","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237068","7.469","0.005","8.644","0.005","10.23","0.007","88.12","0.05","88.89","0.05","71.28","0.06","625.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 B F4 N2 O2 -","- C8 H17 B F4 N2 O2 -","- C16 H34 B2 F8 N4 O4 -","2","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0882","0.0735","","","0.2072","0.2205","","","","","","1.029","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237069","11.034","0.0004","15.227","0.0005","24.4497","0.0008","90","","90","","90","","4107.9","0.2","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C16 H26 B2 F8 N4 -","- C16 H26 B2 F8 N4 -","- C128 H208 B16 F64 N32 -","8","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0996","0.0567","","","0.147","0.1638","","","","","","0.91","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237070","9.79","0.004","12.442","0.005","11.16","0.004","90","","90","","90","","1359.4","0.9","250","2","250","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8.008 N2 -","- C32 H56 B8 F32.032 N8 -","4","0.25","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.109","0.0724","","","0.2256","0.2722","","","","","","1.035","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237071","10.87","0.004","9.528","0.003","12.575","0.005","90","","90","","90","","1302.4","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C32 H56 B8 F32 N8 -","4","0.5","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0686","0.0558","","","0.1595","0.1745","","","","","","1.047","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237072","9.2852","0.0005","9.4826","0.0005","18.6899","0.0009","94.913","0.001","91.446","0.001","112.488","0.001","1511.88","0.14","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","2","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0465","0.0355","","","0.0807","0.0876","","","","","","1.038","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237073","10.409","0.002","11.604","0.002","12.093","0.002","62.633","0.004","72.031","0.004","66.239","0.004","1173.5","0.4","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C56 H36 Cd2 N8 O8 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0281","0.0267","","","0.0837","0.0848","","","","","","1.015","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237074","14.142","0.0009","16.0637","0.001","19.8005","0.0013","90","","90","","90","","4498.1","0.5","297","2","297.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C224 H144 N32 O32 Zn8 -","8","0.5","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0462","0.0395","","","0.1026","0.108","","","","","","1.053","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237075","10.4915","0.0006","12.594","0.0006","13.9443","0.0007","100.636","0.001","106.305","0.001","103.497","0.001","1656.63","0.15","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cd N4 O6 -","- C34 H24 Cd N4 O6 -","- C68 H48 Cd2 N8 O12 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.041","0.0341","","","0.09","0.0922","","","","","","1.132","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237076","10.4474","0.0013","12.4603","0.0016","13.9284","0.0018","101.248","0.003","108.513","0.003","103.284","0.003","1601.2","0.4","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N4 O5 Zn -","- C34 H22 N4 O5 Zn -","- C68 H44 N8 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.1264","0.078","","","0.1843","0.1997","","","","","","1.1","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237077","9.634","0.0007","12.2099","0.0008","12.9166","0.0009","68.118","0.002","76.862","0.002","81.009","0.002","1368.7","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd N5 O5 -","- C31 H24 Cd N5 O5 -","- C62 H48 Cd2 N10 O10 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0293","0.0254","","","0.0648","0.068","","","","","","1.085","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237078","9.3633","0.0005","12.1048","0.0007","13.7443","0.0007","69.881","0.001","72.148","0.001","76.809","0.002","1379.11","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N5 O5 Zn -","- C31 H25 N5 O5 Zn -","- C62 H50 N10 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0357","0.0291","","","0.07","0.0737","","","","","","1.046","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237079","14.745","0.003","14.745","0.003","14.745","0.003","90","","90","","90","","3205.8","1.1","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","DAP-O12","","- C6 H14 Cl3 K N2 O13 -","- C6.0048 H14.0112 Cl3 K N2.0016 O13.0008 -","- C48.0384 H112.09 Cl24 K8 N16.0128 O104.006 -","8","0.0416667","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.0679","0.0412","","","0.1041","0.1251","","","","","","1.052","","","","has coordinates,has disorder","236809","2020-10-21","18:00:00",""
"7237080","10.1521","0.0002","9.7195","0.0002","13.1621","0.0003","90","","91.9","0.002","90","","1298.03","0.05","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PAP-1","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","0.71073","MoKα","","0.0808","0.0505","","","0.1171","0.1403","","","","","","1.043","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237081","14.6921","0.0005","10.4526","0.0004","10.0448","0.0003","90","","91.171","0.003","90","","1542.26","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl3 K N2 O13 -","- C6 H14 Cl3 K N2 O13 -","- C24 H56 Cl12 K4 N8 O52 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.1002","0.0759","","","0.2048","0.2241","","","","","","1.086","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237082","10.1689","0.0004","9.7312","0.0004","13.2985","0.0006","90","","91.993","0.004","90","","1315.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","1.54184","CuKα","","0.0788","0.0731","","","0.2007","0.2103","","","","","","1.0292","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237083","8.059","0.004","14.506","0.006","21.978","0.01","90","","90.494","0.011","90","","2569","2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 I N2 Se -","- C21 H40 I N2 Se -","- C84 H160 I4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0445","0.0309","","","0.0745","0.0773","","","","","","0.945","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237084","12.513","0.0013","14.1548","0.0018","17.6517","0.0018","90","","101.041","0.007","90","","3068.6","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H44 Cl N3 Se2 -","- C26 H44 Cl N3 Se2 -","- C104 H176 Cl4 N12 Se8 -","4","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1513","0.0909","","","0.1968","0.2367","","","","","","1.176","","","","has coordinates,has disorder","236811","2020-10-21","18:00:00",""
"7237085","12.145","0.004","8.651","0.002","26.55","0.008","90","","96.341","0.007","90","","2772.4","1.4","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 I2 N6 Se4 -","- C46 H82 I2 N6 Se4 -","- C92 H164 I4 N12 Se8 -","2","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0554","0.0322","","","0.0679","0.073","","","","","","0.976","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237086","7.855","0.0012","14.479","0.002","21.667","0.003","90","","90.775","0.003","90","","2464","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Br N2 Se -","- C21 H40 Br N2 Se -","- C84 H160 Br4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1103","0.0571","","","0.1463","0.1633","","","","","","0.901","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237087","9.9885","0.0002","11.9939","0.0002","14.1518","0.0003","90","","90","","90","","1695.4","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Cu2 O13 -","- C10 H22 Cu2 O13 -","- C40 H88 Cu8 O52 -","4","0.5","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0225","0.0213","","","0.0489","0.0494","","","","","","1.053","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237088","11.5965","0.0008","11.5965","0.0008","10.5437","0.0006","90","","90","","120","","1227.94","0.14","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C5 H6 Cu O6 -","- C5 H6 Cu O6 -","- C30 H36 Cu6 O36 -","6","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0558","0.0509","","","0.1333","0.1356","","","","","","1.159","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237089","9.77","0.003","9.921","0.003","14.477","0.003","90","","90","","90","","1403.2","0.7","293","2","293","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C40 H64 Cu8 O40 -","8","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0759","0.0458","","","0.0894","0.098","","","","","","1.031","","","","has coordinates","236814","2020-10-21","18:00:00",""