# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-12T12:04:02+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 6 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
"7204766","7.198","0.005","12.957","0.005","18.653","0.007","90","","111.69","0.03","90","","1616.5","1.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.058","","","","0.059","","","","","","1.49","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204767","10.596","0.005","9.766","0.004","35.351","0.011","90","","94.96","0.02","90","","3644","3","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","1.54184","CuKα","","","0.098","","","","0.159","","","","","","2.26","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204768","6.89","0.003","13.261","0.002","18.879","0.007","90","","102.58","0.02","90","","1683.5","1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.08","","","","0.116","","","","","","1.82","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204777","8.7846","0.0001","12.3272","0.0002","13.4594","0.0002","70.08","0.001","76.153","0.001","83.096","0.001","1329.29","0.03","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)","","- C35 H26 F2 O3 -","- C35 H26 F2 O3 -","- C70 H52 F4 O6 -","2","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0674","0.0481","","","0.1281","0.1395","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204778","9.0486","0.0001","19.3364","0.0002","14.4056","0.0002","90","","95.365","0.001","90","","2509.47","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)","","- C31 H20 Cl2 F2 O2 -","- C31 H20 Cl2 F2 O2 -","- C124 H80 Cl8 F8 O8 -","4","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0741","0.0429","","","0.0967","0.1086","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204779","12.8638","0.0002","15.8214","0.0002","16.1334","0.0002","88.14","0.001","88.037","0.001","84.747","0.001","3266.4","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C180 H108 F12 O12 -","6","3","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0922","0.069","","","0.1949","0.2069","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204786","9.486","0.005","11.381","0.005","23.904","0.005","94.779","0.005","101.094","0.005","91.342","0.005","2521.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Ag3 Cr3 N9 O27 -","- C42 H27 Ag3 Cr3 N9 O27 -","- C84 H54 Ag6 Cr6 N18 O54 -","2","1","","Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve","Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine)","CrystEngComm","2004","6","4","11","18","10.1039/b314686c","","","0.71069","MoKα","","0.0672","0.046","","","0.1147","0.1267","","","","","","1.102","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204790","9.4389","0.0011","18.206","0.002","19.514","0.002","90","","94.385","0.002","90","","3343.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Bi F15 N2 O S3 -","- C32 H16 Bi F15 N2 O S3 -","- C128 H64 Bi4 F60 N8 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0536","0.0293","","","0.0533","0.0584","","","","","","0.945","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204791","8.968","0.002","16.616","0.004","24.746","0.007","90","","97.14","0.02","90","","3658.9","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Bi F15 N3 O S3 -","- C33 H19 Bi F15 N3 O S3 -","- C132 H76 Bi4 F60 N12 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.1091","0.0462","","","0.073","0.0873","","","","","","0.937","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204792","9.0368","0.0012","13.0086","0.0016","18.53","0.002","76.225","0.011","82.026","0.013","72.273","0.013","2010","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Bi F15 N2 O2 S3 -","- C38 H26 Bi F15 N2 O2 S3 -","- C76 H52 Bi2 F30 N4 O4 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.048","0.0328","","","0.0795","0.0869","","","","","","1.091","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204793","7.5887","0.0018","14.181","0.006","17.931","0.005","73.275","0.013","78.66","0.02","75.19","0.02","1770.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0894","0.057","","","0.1313","0.1461","","","","","","1.002","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204794","9.034","0.004","11.372","0.007","17.894","0.006","75.17","0.03","84.39","0.03","86.23","0.04","1767","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0649","0.0374","","","0.0677","0.0742","","","","","","0.933","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204795","7.0051","0.0005","8.6187","0.0007","18.5866","0.0015","101.186","0.002","97.114","0.002","101.401","0.002","1063.66","0.14","203","2","203","2","","","","","","","","4","P -1","-P 1","2","2-(4-(dimethylamino)phenylazo)benzoic acid, 3,5- dinitrobenzoic acid","2-[4-(dimethylamino)phenylazo]benzoic acid, 3,5-dinitrobenzoic acid","","- C22 H19 N5 O8 -","- C22 H19 N5 O8 -","- C44 H38 N10 O16 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0835","0.0471","","","0.1117","0.1278","","","","","","0.891","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204796","5.9827","0.0004","9.1713","0.0008","12.1893","0.0008","84.149","0.005","77.407","0.006","74.927","0.005","629.54","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","3-nitrobenzoic acid, isonicotinamide","3-nitrobenzoic acid, isonicotinamide","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1089","0.0464","","","0.091","0.1036","","","","","","0.787","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204797","22.725","0.013","5.231","0.003","20.785","0.012","90","","95.402","0.011","90","","2460","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","isonicotinamide, 4-fluorobenzoic acid","isonicotinamide, 4-fluorobenzoic acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1392","0.0604","","","0.1269","0.1624","","","","","","0.868","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204798","8.0266","0.0014","8.5974","0.0016","12.514","0.002","84.563","0.003","89.934","0.004","75.345","0.003","831.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C32 H32 N8 O14 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1191","0.0519","","","0.1092","0.1297","","","","","","0.81","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204799","7.1538","0.0013","7.9978","0.0015","14.315","0.003","91.111","0.003","91.483","0.004","111.582","0.003","761","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C32 H32 N4 O12 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0808","0.0412","","","0.0999","0.115","","","","","","0.859","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204800","7.6155","0.0007","7.698","0.0009","21.587","0.002","95.59","0.008","94.719","0.007","90.268","0.008","1255.1","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","pyrazinecarboxamide, 4-nitrobenzamide","pyrazinecarboxamide, 4-nitrobenzamide","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","2","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.2052","0.0569","","","0.1127","0.1514","","","","","","0.777","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204809","10.375","0.002","12.404","0.003","22.1","0.004","90","","90.46","0.03","90","","2844","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0755","0.0492","","","0.1189","0.1333","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204820","7.3564","0.0002","6.2253","0.0002","18.6804","0.0006","90","","97.946","0.001","90","","847.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","octafluoronaphthalene : biphenyl, 1:1 complex","","- C22 H10 F8 -","- C22 H10 F8 -","- C44 H20 F16 -","2","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.0539","0.0399","","","0.1046","0.114","","","","","","1.004","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204821","6.446","0.001","7.142","0.001","9.751","0.002","74.46","0.02","71.53","0.02","85.97","0.02","410.17","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","octafluoronaphthalene : biphenylene, 1:1 complex","","- C22 H8 F8 -","- C22 H8 F8 -","- C22 H8 F8 -","1","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.068","0.0488","","","0.1241","0.1394","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204822","15.37","0.002","8.7969","0.0012","20.914","0.003","90","","99.398","0.002","90","","2789.8","0.7","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C52 H54 Cu F12 N4 O P2 S4 -","- C52 H54 Cu F12 N4 O P2 S4 -","- C104 H108 Cu2 F24 N8 O2 P4 S8 -","2","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0708","0.0519","","","0.1737","0.1846","","","","","","1.054","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204823","8.8849","0.0007","10.8557","0.0009","13.312","0.0011","91.398","0.002","103.569","0.002","92.897","0.002","1245.66","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0425","0.0317","","","0.0764","0.0823","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204824","14.3809","0.0006","19.8714","0.0008","18.1471","0.0008","90","","103.481","0.002","90","","5043","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C192 H176 Cu4 F48 N16 P8 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0678","0.0407","","","0.0917","0.1079","","","","","","1.029","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204827","13.5552","0.0019","5.6845","0.0008","15.508","0.002","90","","91.335","0.002","90","","1194.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C48 H48 Cl4 N4 O4 S4 -","4","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0416","0.0325","","","0.0873","0.0939","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204831","17.485","0.003","9.5925","0.0014","19.611","0.003","90","","99.219","0.003","90","","3246.8","0.9","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodium(ii) benzoate-pyrazine including O2","","","- C32 H24 N2 O8.98 Rh2 -","- C32 H24 N2 O8.996 Rh2 -","- C128 H96 N8 O35.984 Rh8 -","4","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo","Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest","CrystEngComm","2004","6","9","39","","10.1039/b316963d","","","0.71073","MoKα","","0.1041","0.0633","","","0.1394","0.1564","","","","","","0.991","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204832","10.891","0.003","13.357","0.003","14.642","0.003","84.15","0.02","74.79","0.02","77.36","0.02","2003.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(phenanthroline)phenylphosphonic acid copper(ii) phenylphosphonate","bis(phenanthroline)phenylphosphonic acid copper(II) phenylphosphonate","","- C36 H42 Cu N4 O13 P2 -","- C36 H35 Cu N4 O13 P2 -","- C72 H70 Cu2 N8 O26 P4 -","2","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0646","0.0581","","","0.1521","0.1594","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204833","33.209","0.006","10.097","0.002","27.247","0.002","90","","119.38","0.01","90","","7961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(phenanthroline)benzylphosphonic acid copper(ii) benzylphosphonate","bis(phenanthroline)benzylphosphonic acid copper(II) benzylphosphonate","","- C38 H34 Cu N4 O11.5 P2 -","- C38 H37 Cu N4 O10 P2 -","- C304 H296 Cu8 N32 O80 P16 -","8","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0982","0.0616","","","0.1684","0.1948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204845","7.5802","0.0006","7.9849","0.0007","12.4508","0.0011","89.026","0.002","83.51","0.002","79.833","0.002","737.02","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridinium) tetrachlorocobaltate(ii)","Bis(pyridinium) tetrachlorocobaltate(II)","","- C10 H12 Cl4 Co N2 -","- C10 H12 Cl4 Co N2 -","- C20 H24 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0522","0.0333","","","0.0686","0.0724","","","","","","0.895","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204847","14.332","0.005","15.179","0.005","16.165","0.005","79.406","0.005","69.285","0.006","74.921","0.006","3159.6","1.8","78","2","78","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 N5 Ni O10 -","- C70 H78 N5 Ni O10 -","- C140 H156 N10 Ni2 O20 -","2","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.1111","0.0694","","","0.188","0.2173","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204848","10.7999","0.0006","11.3654","0.0006","11.8496","0.0006","116.093","0.001","92.31","0.001","106.55","0.001","1228.74","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 B2 Cu F8 N10 O5 -","- C13 H26 B2 Cu F8 N10 O5 -","- C26 H52 B4 Cu2 F16 N20 O10 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.0626","0.0563","","","0.1562","0.1622","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204849","7.182","0.002","12.055","0.003","16.888","0.004","95.19","0.005","99.573","0.004","101.294","0.005","1402.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CuLm).2(BF4).2(Cytosine)","","","- C16 H28 B2 Cu F8 N14 O4 -","- C16 H28 B2 Cu F8 N14 O4 -","- C32 H56 B4 Cu2 F16 N28 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.1275","0.0564","","","0.1008","0.12","","","","","","0.861","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204850","3.9004","0.0008","8.7632","0.0018","16.508","0.003","105.33","0.03","90.09","0.03","100.97","0.03","533.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","dichloroanthracene","dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C28 H16 Cl4 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","1.5418","CuKα","","0.0786","0.0636","","","0.1557","0.1713","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204851","3.8629","0.0009","8.743","0.002","16.515","0.004","105.203","0.004","90.179","0.005","100.495","0.005","528.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","dichloroanthracene:dibromoanthracene","dichloroanthracene:dibromoanthracene","","- C14 H8 Br0.5 Cl1.5 -","- C14 H8 Br0.4972 Cl1.5028 -","- C28 H16 Br0.9944 Cl3.0056 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","0.71073","MoKα","","0.0418","0.0318","","","0.0796","0.0834","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204853","8.6385","0.0002","11.1276","0.0003","12.4701","0.0003","95.955","0.002","97.735","0.002","106.98","0.002","1122.99","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C54 H30 Cl6 O6 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.0778","0.0466","","","0.1307","0.147","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204855","7.5132","0.0003","8.3575","0.0004","13.9439","0.0006","106.836","0.002","95.865","0.002","94.138","0.002","828.87","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Ag N3 O4 -","- C18 H16 Ag N3 O4 -","- C36 H32 Ag2 N6 O8 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.034","0.0307","","","0.0821","0.0838","","","","","","1.104","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204856","9.0541","0.0002","9.3447","0.0003","9.7248","0.0003","81.711","0.001","70.102","0.001","64.45","0.001","698.01","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(3-pyridilmethylidene)cyclohexan","2,6-bis(3-pyridilmethylidene)cyclohexan","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.0582","0.0485","","","0.1322","0.1378","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204860","7.96","0.005","10.122","0.005","12.782","0.005","67.234","0.005","84.407","0.005","80.782","0.005","936.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N4 O8 S -","- C14 H22 Cu N4 O8 S -","- C28 H44 Cu2 N8 O16 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71069","MoKα","","0.0371","0.0314","","0.0915","0.0884","","","","1.042","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204861","23.548","0.011","18.524","0.008","16.469","0.008","90","","102.008","0.017","90","","7027","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cu N8 O11.5 S -","- C28 H28 Cu N8 O11.5 S -","- C224 H224 Cu8 N64 O92 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71073","MoKα","","0.187","0.0884","","0.2967","0.23","","","","1.034","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204864","8.3393","0.0002","9.4759","0.0002","11.9105","0.0003","102.8","0.0009","90.1883","0.001","104.761","0.0011","885.74","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-chloro-1,2,3,5-dithiadiazolyl","","- C Cl N2 S2 -","- C Cl N2 S2 -","- C8 Cl8 N16 S16 -","8","4","","Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M.","Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN","CrystEngComm","2004","6","17","79","","10.1039/b403430a","","","0.71073","MoKα","","0.0278","0.0258","","","0.0669","0.0681","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204865","8.3198","0.0017","15.4","0.003","15.635","0.003","90","","99.4","0.03","90","","1976.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMesH)(Cl).H2O","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.0572","0.0415","","","0.1095","0.1165","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204866","8.3676","0.0017","11.315","0.002","13.246","0.003","70.27","0.03","80.1","0.03","76.55","0.03","1142.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(IMesH)(Cl).Acetone","","","- C24 H31 Cl N2 O -","- C24 H31 Cl N2 O -","- C48 H62 Cl2 N4 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.1181","0.0842","","","0.2048","0.231","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204868","12.646","0.003","7.404","0.001","7.297","0.001","90","","120.18","0.03","90","","590.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Co O6 -","- C3 H2 Co O6 -","- C12 H8 Co4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71069","MoKα","","0.0336","0.0257","","","0.0759","0.0789","","","","","","1.165","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204869","12.5748","0.0005","7.3781","0.0006","7.2274","0.0004","90","","120.391","0.006","90","","578.41","0.07","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ni O6 -","- C3 H2 Ni O6 -","- C12 H8 Ni4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71073","MoKα","","0.071","0.0421","","","0.086","0.0921","","","","","","1.095","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204871","7.552","0.0015","16.296","0.003","16.174","0.003","90","","98.71","0.03","90","","1967.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(4-nitrophenyl)diphenylmethane","bis(4-nitrophenyl)diphenylmethane","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1102","0.0642","","","0.153","0.1817","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204874","9.782","0.001","11.907","0.002","20.242","0.003","90","","98.13","0.01","90","","2334","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrakis-(4-cyanophenyl)methane","tetrakis-(4-cyanophenyl)methane","","- C29 H16 N4 -","- C29 H16 N4 -","- C116 H64 N16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1517","0.0664","","","0.0857","0.1332","","","","","","1.35","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204882","5.9008","0.0005","10.0652","0.0008","11.6577","0.0009","90","","102.919","0.003","90","","674.86","0.09","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","4-ethynyltoluene","4-ethynyltoluene","","- C9 H8 -","- C9 H8 -","- C36 H32 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.073","0.0465","","","0.0827","0.0875","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204883","8.6911","0.0005","13.1827","0.0007","13.275","0.0007","90","","93.128","0.001","90","","1518.68","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.032","0.0251","","","0.0646","0.0669","","","","","","0.995","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204884","12.009","0.0006","8.5819","0.0004","13.9542","0.0009","90","","103.305","0.002","90","","1399.52","0.13","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0985","0.0494","","","0.0939","0.1094","","","","","","0.999","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204885","11.81","0.002","8.2394","0.0012","16.073","0.002","90","","104.282","0.003","90","","1515.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl2 Cu N5 O2 -","- C10 H17 Cl2 Cu N5 O2 -","- C40 H68 Cl8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0575","0.0371","","","0.0837","0.0896","","","","","","0.936","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204886","11.4766","0.0011","8.7847","0.0008","13.5378","0.0012","90","","109.089","0.001","90","","1289.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl2 Cu N5 O -","- C9 H13 Cl2 Cu N5 O -","- C36 H52 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0512","0.0389","","","0.0969","0.1021","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204887","11.9013","0.0007","11.9578","0.0007","13.8143","0.0008","112.245","0.001","112.224","0.001","91.301","0.001","1652.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Ag B F4 N2 O2 -","- C36 H30 Ag B F4 N2 O2 -","- C72 H60 Ag2 B2 F8 N4 O4 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0465","0.0294","","","0.0749","0.0824","","","","","","0.942","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204888","12.4855","0.0007","8.6349","0.0005","15.6533","0.0009","90","","98.286","0.001","90","","1669.98","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ag F6 N2 O2 P -","- C36 H30 Ag F6 N2 O2 P -","- C72 H60 Ag2 F12 N4 O4 P2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0391","0.0305","","","0.0822","0.0904","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7216186","20.2438","0.0003","14.308","0.0002","19.1313","0.0003","90","","105.688","0.001","90","","5334.92","0.14","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 O4 S -","- C32 H24 Cl2 O4 S -","- C256 H192 Cl16 O32 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0385","0.0321","","","0.0802","0.083","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216187","33.3796","0.001","10.1112","0.0002","14.2492","0.0004","90","","91.117","0.001","90","","4808.3","0.2","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Cl2 O2 S -","- C31 H19 Cl2 O2 S -","- C248 H152 Cl16 O16 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0492","0.0357","","","0.0819","0.0866","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216189","6.622","0.0001","7.7322","0.0002","9.8897","0.0004","80.5127","0.001","88.4579","0.0011","70.5583","0.0018","470.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0344","0.0287","","","0.064","0.0653","","","","","","1.038","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216191","13.3175","0.0003","12.4223","0.0004","13.3087","0.0003","90","","118.383","0.0016","90","","1937.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cd2 N17 -","- C12 H10 Cd2 N17 -","- C48 H40 Cd8 N68 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0465","0.0243","","","0.053","0.057","","","","","","0.914","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216192","12.9875","0.0003","12.8242","0.0003","13.6191","0.0003","90","","116.947","0.0016","90","","2022.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd2 N18 -","- C12 H7 Cd2 N18 -","- C48 H28 Cd8 N72 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.061","0.0377","","","0.0794","0.0828","","","","","","1.281","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216193","12.733","0.003","12.911","0.003","13.92","0.003","90","","115.79","0.03","90","","2060.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 N16 -","- C14 H14 Cd2 N16 -","- C56 H56 Cd8 N64 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0685","0.0331","","","0.0605","0.0657","","","","","","0.86","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""