# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T10:39:54+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 = 5 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
"7204509","7.202","0.001","11.18","0.002","18.192","0.004","90","","100.48","0.03","90","","1440.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N7 O4 S -","- C9 H17 N7 O4 S -","- C36 H68 N28 O16 S4 -","4","1","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.0951","0.0463","","","0.1073","0.1253","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204510","9.4365","0.0005","23.7247","0.0019","7.0598","0.0004","90","","93.656","0.004","90","","1577.32","0.18","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N6 O8 S -","- C10 H18 N6 O8 S -","- C40 H72 N24 O32 S4 -","4","0.5","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.1175","0.0542","","","0.1226","0.1445","","","","","","1.027","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204546","8.5807","0.0011","14.25","0.002","12.114","0.002","90","","109.853","0.002","90","","1393.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 Cu N8 O4 -","- C22 H36 Cl2 Cu N8 O4 -","- C44 H72 Cl4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0715","0.0366","","","0.0627","0.0697","","","","","","0.873","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204547","9.036","0.003","12.689","0.004","16.37","0.005","94.62","0.005","97.051","0.005","91.02","0.005","1856","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Br2 Cu N8 O2 -","- C10 H24 Br2 Cu N8 O2 -","- C40 H96 Br8 Cu4 N32 O8 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0807","0.0473","","","0.116","0.136","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204548","10.859","0.004","24.988","0.008","7.662","0.003","90","","96.259","0.005","90","","2066.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 Cu N8 O3 -","- C12 H30 Cl2 Cu N8 O3 -","- C48 H120 Cl8 Cu4 N32 O12 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.1471","0.0998","","","0.2367","0.2566","","","","","","1.092","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204549","7.6304","0.001","12.062","0.002","12.964","0.002","71.233","0.002","78.914","0.002","80.827","0.002","1102.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Br2 Cu N8 O3 -","- C13 H32 Br2 Cu N8 O3 -","- C26 H64 Br4 Cu2 N16 O6 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0492","0.0317","","","0.0717","0.0751","","","","","","0.984","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204550","5.223","0.001","16.539","0.004","11.802","0.003","90","","102.806","0.005","90","","994.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br2 Cu N8 O4 -","- C10 H28 Br2 Cu N8 O4 -","- C20 H56 Br4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.6942","Synchrotron","","0.0858","0.0586","","","0.0914","0.0967","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204551","5.2682","0.0008","13.403","0.002","11.065","0.002","90","","94.56","0.003","90","","778.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl2 Cu N8 O2 -","- C8 H20 Cl2 Cu N8 O2 -","- C16 H40 Cl4 Cu2 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0557","0.0394","","","0.0931","0.0979","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204552","6.983","0.0011","16.174","0.0017","12.36","0.004","90","","99.31","0.02","90","","1377.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-hydroxyquinolinium salicylate","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","2","","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound","CrystEngComm","2003","5","11","58","","10.1039/b210197c","","","1.5418","CuKα","","0.0367","0.0344","","","0.0998","0.1027","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204555","17.17","0.006","14.26","0.004","24.02","0.008","90","","90","","90","","5881","3","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C256 H320 N16 O24 -","8","2","","Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Monohelical self-assembly of 5-alkoxyisophthalamides","CrystEngComm","2003","5","6","38","","10.1039/b210303f","","","0.71073","MoKα","","0.1395","0.0597","","","0.1208","0.1378","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204559","5.383","0.001","15.581","0.003","12.685","0.002","90","","101.746","0.004","90","","1041.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cu N10 O8 -","- C12 H8 Cu N10 O8 -","- C24 H16 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","","","0.1057","0.0729","","","0.1831","0.1977","","","","","","1.064","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204560","5.2725","0.0005","15.204","0.0015","13.9432","0.0013","90","","99.532","0.002","90","","1102.3","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H28 B2 Cu F8 N8 O2 -","- C12 H28 B2 Cu F8 N8 O2 -","- C24 H56 B4 Cu2 F16 N16 O4 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","Synchrotron","","0.0508","0.0456","","","0.1135","0.1152","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204561","11.1621","0.0011","16.1935","0.0015","17.328","0.002","83.861","0.002","74.106","0.002","81.143","0.002","2969.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H35 Cu N10 O9 -","- C22.5 H33 Cu N10 O9 -","- C90 H132 Cu4 N40 O36 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.1062","0.0522","","","0.1297","0.1505","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204562","5.03","0.0002","15.4696","0.0002","12.3914","0.0005","90","","95.916","0.002","90","","959.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cu N10 O8 -","- C10 H24 Cu N10 O8 -","- C20 H48 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6982","Synchrotron","","0.1056","0.0948","","","0.2457","0.2489","","","","","","1.208","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204563","5.118","0.0006","14.676","0.002","13.913","0.002","90","","99.989","0.002","90","","1029.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 B2 Cu F8 N8 O2 -","- C10 H24 B2 Cu F8 N8 O2 -","- C20 H48 B4 Cu2 F16 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.0356","0.0275","","","0.0747","0.0778","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204564","7.149","0.003","10.468","0.004","11.295","0.003","90","","90","","90","","845.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Co N O6 -","- C5 H7 Co N O6 -","- C20 H28 Co4 N4 O24 -","4","1","","Zhang, Yugen; Saha, Manas K.; Bernal, Ivan","[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels","CrystEngComm","2003","5","5","34","","10.1039/b210753h","","x-ray","0.71073","MoKα","","0.0307","0.0283","","","0.0799","0.081","","","","","","1.188","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204565","8.135","0.002","12.011","0.003","12.048","0.002","79.86","0.01","89.486","0.005","78.146","0.006","1133.7","0.4","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","1","0.5","","Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi","Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl–) as an electron donor in a TCNQ complex","CrystEngComm","2003","5","10","54","","10.1039/b210879h","","","0.7107","MoKα","","","0.059","","","","0.092","","","","","","0.599","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204566","11.689","0.001","14.482","0.001","18.587","0.002","90","","90","","90","","3146.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Ag3 N S8 W2 -","- C16 H36 Ag3 N S8 W2 -","- C64 H144 Ag12 N4 S32 W8 -","4","1","","Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan","Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n","CrystEngComm","2003","5","12","62","","10.1039/b210937a","","","0.71073","MoKα","","0.0568","0.0486","","","0.1269","0.1314","","","","","","1.041","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204570","45.207","0.009","6.465","0.001","7.416","0.001","90","","90","","90","","2167.4","0.6","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine","","- C27 H18 Cl N3 O2 -","- C27 H18 Cl N3 O2 -","- C108 H72 Cl4 N12 O8 -","4","0.5","","Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás","Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal","CrystEngComm","2003","5","7","42","","10.1039/b211206j","","","1.54184","CUkα","","0.0428","0.033","","","0.0904","0.0951","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204571","6.545","0.01","28.28","0.006","11.633","0.002","90","0.003","103.37","0.03","90","0.003","2095","3","100","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O5 -","- C21 H23 Cl N4 O5 -","- C84 H92 Cl4 N16 O20 -","4","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.1062","0.0817","","","0.1836","0.1935","","","","","","1.334","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204572","7.271","0.001","9.144","0.002","16.674","0.003","86.93","0.03","80.92","0.03","85.43","0.03","1090.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.4 Cl N4 O6.2 -","- C21 H25 Cl N4 O6.2 -","- C42 H50 Cl2 N8 O12.4 -","2","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.0887","0.0534","","","0.0949","0.1081","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204573","12.9719","0.0015","15.119","0.002","16.799","0.003","100.572","0.011","104.897","0.011","113.581","0.01","2761.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H56 O5 -","- C70 H56 O5 -","- C140 H112 O10 -","2","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer – the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1015","0.06","","","0.1571","0.1861","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204574","13.22","0.003","10.568","0.004","15.517","0.004","90","","105.954","0.017","90","","2084.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37.5 N O2 -","- C25 H29 O2 -","- C100 H116 O8 -","4","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1314","0.0589","","","0.1133","0.1407","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204575","5.5028","0.0013","7.0583","0.0016","8.2718","0.0019","70.112","0.004","85.814","0.004","74.095","0.004","290.48","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N2 O4 -","- C4 H6 N2 O4 -","- C8 H12 N4 O8 -","2","1","","Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.","A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/","CrystEngComm","2003","5","2","3","","10.1039/b211784c","","","0.71073","MoKα","","0.0408","0.0379","","","0.1048","0.1075","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204576","3.8364","0.001","12.916","0.002","12.221","0.003","90","","93.91","0.03","90","","604.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl1.032 N0.968 O1.936 -","- C28 H20 Cl2.064 N1.936 O3.872 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1116","0.0727","","","0.1628","0.1783","","","","","","0.865","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204577","3.818","0.0006","13.0067","0.0019","12.478","0.002","90","","94.371","0.019","90","","617.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C28 H20 N4 O8 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 – x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1202","0.0608","","","0.1446","0.1632","","","","","","0.802","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204591","25.6343","0.0006","25.6343","0.0006","31.3646","0.0006","90","","90","","120","","17849","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H40 N O P3 Pt -","- C43 H40 N O P3 Pt -","- C774 H720 N18 O18 P54 Pt18 -","18","1","","Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","An organoplatinum molecular hexagon that crystallizes in a hexagonal array","CrystEngComm","2003","5","13","65","","10.1039/b212734b","","","0.71073","MoKα","","0.0598","0.0412","","","0.1185","0.1285","","","","","","1.063","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204594","13.407","0.003","10.039","0.003","17.115","0.007","90","","90.6","0.03","90","","2303.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprim p-toluenesulfonate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-methylbenzene sulfonate","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C84 H104 N16 O24 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0681","0.0412","","","0.1016","0.1158","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204595","17.855","0.004","6.136","0.01","21.349","0.004","90","","109.08","0.003","90","","2210","4","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfanilate monohydrate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-aminobenzene sulfonate","","- C20 H27 N5 O7 S -","- C20 H27 N5 O7 S -","- C80 H108 N20 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0822","0.0631","","","0.1508","0.163","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204596","17.507","0.002","6.323","0.003","21.35","0.002","90","","107.8","0.02","90","","2250.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium) benzenesulfonate, monohydrate.","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium] benzenesulfonate, monohydrate.","","- C20 H26 N4 O7 S -","- C20 H26 N4 O7 S -","- C80 H104 N16 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.156","0.0389","","","0.0671","0.093","","","","","","0.714","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204597","11.442","0.002","18.769","0.003","12.783","0.003","90","","114.18","0.03","90","","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3- carboxy-4-hydroxybenzene sulfonate dihydrate","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3-carboxy-4-hydroxybenzene sulfonate dihydrate","","- C21 H28 N4 O11 S -","- C21 H28 N4 O11 S -","- C84 H112 N16 O44 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.2598","0.0516","","","0.0599","0.0906","","","","","","0.793","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204607","6.2565","0.0006","10.8094","0.0005","17.2183","0.0016","106.78","0.006","93.498","0.006","102.78","0.006","1077.49","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C46 H60 O10 -","2","1","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","1.54184","CuKα","","0.0665","0.0653","","","0.2191","0.2192","","","","","","1.362","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204608","9.8539","0.0001","9.2288","0.0001","33.0868","0.0005","90","","92.658","0.0007","90","","3005.67","0.06","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C144 H152 O24 -","4","2","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","0.71073","MoKα","","0.0387","0.0328","","","0.0656","0.0673","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204610","12.588","0.003","11.726","0.002","8.987","0.0018","90","","90","","90","","1326.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co F2 O6 -","- C14 H11 Co F2 O6 -","- C56 H44 Co4 F8 O24 -","4","0.5","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0692","0.0433","","","0.1155","0.1311","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204611","7.833","0.0016","11.696","0.002","14.435","0.003","90","","100.13","0.03","90","","1301.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co F O6 -","- C14 H12 Co F O6 -","- C56 H48 Co4 F4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0681","0.0437","","","0.1115","0.1264","","","","","","1.021","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204612","7.452","0.003","12.949","0.003","14.886","0.005","90","","102.36","0.03","90","","1403.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl Co O6 -","- C14 H12 Cl Co O6 -","- C56 H48 Cl4 Co4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0433","0.0391","","","0.1051","0.1085","","","","","","1.07","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204616","5.0842","0.0008","5.4202","0.0009","18.831","0.003","90","","94.126","0.004","90","","517.59","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3'-DPTZ","3,6-Di-pyridin-3-yl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0769","0.0386","","","0.0838","0.0972","","","","","","0.878","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204617","5.0029","0.0009","5.4035","0.001","18.788","0.004","90","","92.776","0.004","90","","507.3","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0583","0.0439","","","0.1202","0.1303","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204618","12.968","0.002","5.596","0.001","6.813","0.001","90","","92.099","0.003","90","","494.08","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-pyrazyl-tetrazine","3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 N8 -","- C10 H6 N8 -","- C20 H12 N16 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π–π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0368","0.0346","","","0.1","0.1017","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204619","10.0506","0.0015","10.3341","0.0014","11.1873","0.0016","66.406","0.003","89.958","0.003","71.145","0.002","996.5","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag Cl N0 O4 S2 -","- C18 H22 Ag Cl O4 S2 -","- C36 H44 Ag2 Cl2 O8 S4 -","2","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0899","0.0543","","","0.1229","0.1404","","","","","","0.943","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204620","12.5416","0.0007","9.1826","0.0005","17.4612","0.001","90","","99.573","0.001","90","","1982.91","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag N O3 S2 -","- C18 H22 Ag N O3 S2 -","- C72 H88 Ag4 N4 O12 S8 -","4","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0698","0.0731","","","","","","1.076","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204621","11.5428","0.0002","12.485","0.0002","18.4962","0.0003","97.196","0.0006","106.027","0.0006","107.916","0.0006","2372.42","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 B20 N2 O19 W5 -","- C18 H54 B20 N2 O19 W5 -","- C36 H108 B40 N4 O38 W10 -","2","1","","Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual","The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4","CrystEngComm","2003","5","19","93","","10.1039/b302341a","","","0.71073","MoKα","","0.0399","0.0369","","","0.0949","0.098","","","","","","1.082","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204622","10.1635","0.0016","19.999","0.003","20.833","0.003","90","","103.159","0.003","90","","4123.3","1.1","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 Fe N6 Ni O16.5 -","- C29 H30 Cl2 Fe N6 Ni O16.5 -","- C116 H120 Cl8 Fe4 N24 Ni4 O66 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.2003","0.0733","","","0.1789","0.2366","","","","","","0.877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204623","10.4651","0.0005","18.6142","0.001","20.3093","0.0011","90","","102.868","0.001","90","","3856.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Cl2 Fe N6 Ni O17 -","- C31 H26 Cl2 Fe N6 Ni O17 -","- C124 H104 Cl8 Fe4 N24 Ni4 O68 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.064","0.044","","","0.123","0.1343","","","","","","1.059","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204624","10.4799","0.0004","19.5611","0.0006","20.0708","0.0007","90","","103.669","0.001","90","","3997.9","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Cl2 Fe N7 Ni O18 -","- C30 H29 Cl2 Fe N7 Ni O18 -","- C120 H116 Cl8 Fe4 N28 Ni4 O72 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.0581","0.0396","","","0.104","0.1123","","","","","","1","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204625","9.7081","0.0013","19.095","0.003","18.094","0.002","90","","98.035","0.003","90","","3321.3","0.8","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 Fe N8 Ni O4 S2 -","- C27 H16 Cl3 Fe N8 Ni O4 S2 -","- C108 H64 Cl12 Fe4 N32 Ni4 O16 S8 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1197","0.0675","","","0.1897","0.2175","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204626","14.9691","0.0006","14.9691","0.0006","30.3224","0.0017","90","","90","","90","","6794.5","0.5","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C25 H23.5 Br Cl Fe N6 Ni O10.75 -","- C25 H16 Br Cl Fe N6 Ni O10.75 -","- C200 H128 Br8 Cl8 Fe8 N48 Ni8 O86 -","8","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.132","0.0675","","","0.1563","0.1825","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204627","32.323","0.003","17.0606","0.0014","20.7616","0.0017","90","","90","","90","","11449","1.7","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H75 Cl19 Fe5 N18 O37 -","- C79 H48 Cl19 Fe5 N18 O37 -","- C316 H192 Cl76 Fe20 N72 O148 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1567","0.0787","","","0.2145","0.2617","","","","","","1.027","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204628","8.9267","0.0006","12.2683","0.0008","13.3292","0.0009","90.215","0.002","101.813","0.002","97.288","0.002","1416.63","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","1","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1241","0.0616","","","0.1428","0.1688","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204629","32.999","0.002","17.1473","0.0011","20.9802","0.0013","90","","90","","90","","11871.5","1.3","200","2","200","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 -","- C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39 -","- C314 H192 Cl70 Fe8 N72 Ni12 O156 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1578","0.0854","","","0.2488","0.2994","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204631","11.564","0.002","16.393","0.003","16.793","0.003","90","","90","","90","","3183.4","1","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.0979","0.0666","","","0.1802","0.2048","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204632","11.377","0.002","15.982","0.003","16.191","0.003","90","","90","","90","","2944","0.9","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","","- C34 H34 O4 S2 -","- C34 H34 O4 S2 -","- C136 H136 O16 S8 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.1096","0.097","","","0.206","0.2108","","","","","","1.226","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204634","14.218","0.003","41.861","0.008","17.664","0.004","90","","106.29","0.03","90","","10091","4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H98 N4 O62 -","- C96 H98 N4 O62 -","- C384 H392 N16 O248 -","4","1","","Almeida Paz, Filipe A.; Klinowski, Jacek","Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2003","5","41","238","","10.1039/b302949b","","","0.71073","MoKα","","0.1061","0.0588","","","0.1349","0.1586","","","","","","1.044","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204640","12.8274","0.0007","12.8274","0.0007","14.2567","0.0007","90","","90","","90","","2345.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C18 H15 Cr N12 O4 S -","- C18 H12 Cr N12 O4 S -","- C72 H48 Cr4 N48 O16 S4 -","4","0.5","","Krister Larsson; Lars Öhrström","A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes","CrystEngComm","2003","5","38","222","225","10.1039/b303107a","","x-ray","0.924","synchrotron","","0.0707","0.0692","","","0.1969","0.2001","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204642","26.361","0.013","6.777","0.003","15.553","0.008","90","","95.44","0.008","90","","2766","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C120 H104 N40 O24 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.1436","0.0662","","","0.1474","0.176","","","","","","0.898","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204643","19.174","0.003","6.7825","0.001","32.748","0.005","90","","91.246","0.003","90","","4257.8","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C180 H156 N60 O36 -","12","1.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.0901","0.0568","","","0.1425","0.1563","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204644","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","bis-(tetraphenylporphirinate Zn(ii))pyrazine fullerene molecular complex","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Coppens, Philip; Lyubovskaya, Rimma N.","Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]�C60�5.34C7H8�0.66C6H5CNElectronic supplementary information (ESI) available: charaterisation for compound 1. See http://www.rsc.org/suppdata/ce/b3/b303415a/","CrystEngComm","2003","5","25","137","","10.1039/b303415a","","","0.71073","MoKα","","0.0775","0.0625","","","0.1729","0.1831","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204645","9.142","0.0002","9.6756","0.0002","19.9513","0.0005","79.184","0.001","83.998","0.001","68.436","0.001","1610.88","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3-(2,7-Dibromo-fluoren-9-ylidene)-2-(9-(3-oxo-3-phenyl-prop-1- ynyl)-9H-fluoren-9-yl)-1-phenyl-propenone","3-(2,7-Dibromo-fluoren-9-ylidene)-2-[9-(3-oxo-3-phenyl-prop-1-ynyl)- 9H-fluoren-9-yl]-1-phenyl-propenone","","- C44 H24 Br2 O2 -","- C44 H24 Br2 O2 -","- C88 H48 Br4 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.0928","0.0523","","","0.1191","0.1338","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204646","9.5423","0.0002","9.8723","0.0002","20.2727","0.0004","83.159","0.001","87.31","0.001","76.521","0.001","1843.59","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","2-(2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9- yl)-3-fluoren-9-ylidene-1-phenyl-propenone","2-[2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9-yl]-3- fluoren-9-ylidene-1-phenyl-propenone","","- C45 H25 Br2 Cl3 O2 -","- C45 H25 Br2 Cl3 O2 -","- C90 H50 Br4 Cl6 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.139","0.0635","","","0.1564","0.1799","","","","","","1.068","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204650","6.317","0.004","9.643","0.005","12.877","0.007","90","","92.574","0.009","90","","783.6","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquairon(ii)-H2piperazinedium-bis(hydrogenphosphate)","Hexaaquairon(II)-H2piperazinedium-bis(hydrogenphosphate)","","- C4 H26 Fe N2 O14 P2 -","- C4 H26 Fe N2 O14 P2 -","- C8 H52 Fe2 N4 O28 P4 -","2","0.5","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204651","9.815","0.002","9.7225","0.0019","9.877","0.002","90","","102.87","0.03","90","","918.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium-(aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(iii))-hydrate","Ammonium-[aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(III)]-hydrate","","- Fe2 H9 N O11 P2 -","- Fe2 H9 N O11 P2 -","- Fe8 H36 N4 O44 P8 -","4","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","297168","2025-01-07","09:57:42",""
"7204652","6.3554","0.0016","9.166","0.002","15.311","0.004","90.27","0.004","91.338","0.004","106.594","0.004","854.5","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(iii)-0.25hydrate","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(III)-0.25hydrate","","- C4 H13 Fe3 N2 O17.25 P4 -","- C4 H13 Fe3 N2 O17.25 P4 -","- C8 H26 Fe6 N4 O34.5 P8 -","2","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis","CrystEngComm","2003","5","33","180","189","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","297168","2025-01-07","09:57:42",""
"7204659","8.4989","0.0003","10.4456","0.0004","19.6071","0.0007","102.094","0.001","95.528","0.001","99.56","0.002","1662.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","1","0.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.7107","MoKα","","0.103","0.0524","","","0.1258","0.1468","","","","","","1.034","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204660","8.581","0.0001","16.348","0.0002","27.262","0.0005","103.653","0.001","92.683","0.001","101.473","0.001","3624.36","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H86.66667 N6 O5.33333 S2 -","- C42 H86.6667 N6 O5.33333 S2 -","- C126 H260 N18 O16 S6 -","3","1.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71073","MoKα","","0.083","0.0489","","","0.1087","0.1246","","","","","","1.015","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7204661","16.788","0.0002","17.06","0.0002","18.313","0.0003","90","","90","","90","","5244.9","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H44 Br N5 S2 -","- C18 H44 Br N5 S2 -","- C144 H352 Br8 N40 S16 -","8","1","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71069","MoKα","","0.0752","0.0455","","","0.1113","0.1303","","","","","","1.041","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204662","6.0729","0.0001","9.4013","0.0002","20.6723","0.0004","90","","95.287","0.001","90","","1175.23","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0682","0.0411","","","0.0934","0.1056","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204663","7.0307","0.0001","10.7052","0.0002","11.9562","0.0002","87.755","0.001","82.735","0.001","73.835","0.001","857.36","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of resorcinol and isonicotinamide","1:2 molecular complex of resorcinol and isonicotinamide","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0623","0.0413","","","0.1043","0.1154","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204664","7.4967","0.0001","8.8748","0.0001","15.2793","0.0003","95.1886","0.0006","97.479","0.0006","105.77","0.0007","961.5","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C36 H44 N8 O14 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0467","0.0363","","","0.0926","0.0988","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204665","14.2811","0.0004","5.4136","0.0002","11.911","0.0003","90","","111.934","0.001","90","","854.21","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 molecular complex of hydroquinone and isonicotinamide","1:2 molecular complex of hydroquinone and isonicotinamide","","- C9 H9 N2 O2 -","- C9 H9 N2 O2 -","- C36 H36 N8 O8 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0832","0.0442","","","0.0957","0.1131","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204666","21.731","0.004","10.588","0.002","11.685","0.002","90","","110.5","0.03","90","","2518.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N4 O4 S -","- C26 H28 Fe N4 O4 S -","- C104 H112 Fe4 N16 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0732","0.0358","","0.0817","0.0739","","","","0.895","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204667","6.8307","0.001","6.8307","0.001","14.404","0.002","90","","90","","90","","672.07","0.17","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C12 H8 Cd N2 O4 S -","- C12 H8 Cd N2 O4 S -","- C24 H16 Cd2 N4 O8 S2 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0231","0.0208","","0.0483","0.0479","","","","1.044","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204668","9.399","0.003","9.496","0.003","10.073","0.004","62.11","0.02","89.18","0.02","73","0.02","751.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cu N2 O7 S -","- C12 H12 Cu N2 O7 S -","- C24 H24 Cu2 N4 O14 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0739","0.0439","","0.1312","0.1199","","","","1.082","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204669","23.35","0.011","19.882","0.009","13.644","0.006","90","","106.29","0.02","90","","6080","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Co2 N6 O10 S2 -","- C38 H42 Co2 N6 O10 S2 -","- C152 H168 Co8 N24 O40 S8 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1023","0.0679","","0.1921","0.1807","","","","0.939","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204670","21.485","0.003","27.235","0.004","26.925","0.004","90","","90.24","0.01","90","","15755","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H152 N20 Ni6 O40 S6 -","- C120 H120 N20 Ni6 O40 S6 -","- C480 H480 N80 Ni24 O160 S24 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1647","0.1123","","0.3173","0.2802","","","","0.881","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204675","15.2583","0.001","9.7626","0.0008","8.294","0.0005","90","","97.46","0.008","90","","1225.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe O2 -","- C14 H18 Fe O2 -","- C56 H72 Fe4 O8 -","4","1","","Michael Schmittel; Mukul Lal; Marc Schlosser; Hans-Jörg Deiseroth","Unusual ladder-like supramolecular arrangement by cooperative effect of bifurcated O‒HO hydrogen bonding in crystals of racemic 4-ferrocenylbutan-1,2-diol","CrystEngComm","2003","5","50","294","299","10.1039/b304427k","","","0.71073","MoKα","","0.0354","0.027","","","0.0674","0.0697","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204676","8.06","0.0002","15.039","0.0004","16.817","0.0006","83.761","0.001","77.324","0.0011","88.522","0.002","1976.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H36 Cl3.5 N5 O3 -","- C46.417 H34.434 Cl3.416 N5 O3 -","- C92.834 H68.868 Cl6.832 N10 O6 -","2","1","","Vinodu, Mikki; Goldberg, Israel","New assembly modes of porphyrin-based networks","CrystEngComm","2003","5","36","204","","10.1039/b304665f","","","0.71073","MoKα","","0.1054","0.0661","","","0.1686","0.1933","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204677","5.2961","0.0002","7.8521","0.0003","7.9506","0.0004","90.03","0.002","106.037","0.002","95.972","0.003","315.89","0.02","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C10 H16 Li2 N2 O8 -","2","2","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles","CrystEngComm","2003","5","45","262","","10.1039/b304689c","","","0.71073","MoKα","","0.0278","0.0262","","","0.0614","0.0627","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204678","10.423","0.004","7.033","0.003","8.951","0.004","90","","90","","90","","656.2","0.5","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","4-ethynylaniline","4-ethynylaniline","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0605","0.0544","","","0.1528","0.1641","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204679","8.594","0.002","7.6166","0.0019","9.469","0.002","90","","90","","90","","619.8","0.2","203","2","203","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4-bromoaniline","4-bromoaniline","","- C6 H5 Br N -","- C6 H5 Br N -","- C24 H20 Br4 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0581","0.037","","","0.0929","0.1071","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204680","8.422","0.007","4.965","0.004","8.645","0.007","90","","109.79","0.013","90","","340.1","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-iodoaniline","4-iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C12 H12 I2 N2 -","2","1","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0423","0.0391","","","0.0958","0.0974","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204682","6.961","0.001","14.442","0.003","7.434","0.001","90","","92.02","0.03","90","","746.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Co N O5 -","- C5 H6 Co N O5 -","- C20 H24 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71069","MoKα","","0.0774","0.036","","","0.0826","0.0934","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204683","6.9461","0.0012","14.269","0.003","7.432","0.001","90","","92.232","0.016","90","","736.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N O5 Zn -","- C5 H6 N O5 Zn -","- C20 H24 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.136","0.0518","","","0.0857","0.0969","","","","","","0.923","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204684","16.802","0.002","6.8884","0.0004","7.4787","0.0011","90","","115.119","0.01","90","","783.72","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 Co N O5 -","- C5 H4.5 Co N O5 -","- C20 H18 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0793","0.0747","","","0.1915","0.1962","","","","","","1.144","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204685","16.546","0.002","6.929","0.0005","7.4783","0.0008","90","","113.472","0.005","90","","786.42","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 N O5 Zn -","- C5 H4 N O5 Zn -","- C20 H16 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0563","0.0411","","","0.1137","0.1218","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204686","7.481","0.0006","12.2434","0.001","10.8863","0.0009","90","","108.526","0.002","90","","945.44","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C28 H44 Hg4 N4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.041","0.031","","","0.065","0.069","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204687","12.3186","0.0014","12.7707","0.0015","12.3438","0.0013","90","","91.394","0.002","90","","1941.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C56 H88 Hg8 N8 S16 -","8","2","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.116","0.055","","","0.109","0.131","","","","","","0.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204688","11.1294","0.0007","8.9365","0.0006","25.7799","0.0016","90","","90","","90","","2564","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Hg N S2 -","- C12 H13 Hg N S2 -","- C96 H104 Hg8 N8 S16 -","8","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.047","0.032","","","0.068","0.073","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204690","8.6181","0.0016","15.486","0.003","13.996","0.003","90","","93.97","0.003","90","","1863.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H30 N15 P3 -","- C6 H30 N15 P3 -","- C24 H120 N60 P12 -","4","1","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0312","0.0293","","","0.0798","0.081","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204691","17.227","0.003","31.187","0.006","8.3154","0.0017","90","","90.91","0.03","90","","4467","1.5","150","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N11 O2 P3 -","- C16 H28 N11 O2 P3 -","- C128 H224 N88 O16 P24 -","8","2","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0799","0.0591","","","0.1392","0.1559","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204692","8.5038","0.001","8.8887","0.001","11.5366","0.0013","93.953","0.002","107.892","0.002","92.848","0.002","825.57","0.16","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","1","0.5","","Neve, Francesco; Crispini, Alessandra","N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/","CrystEngComm","2003","5","46","265","","10.1039/b305804b","","","0.71073","MoKα","","0.0509","0.0402","","","0.1041","0.112","","","","","","0.942","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204697","16.248","0.004","19.603","0.004","26.44","0.008","90","","90","","90","","8421","4","294","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Fe Hg I4 N7 O -","- C40 H29 Fe Hg I4 N7 O -","- C320 H232 Fe8 Hg8 I32 N56 O8 -","8","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.043","","","","0.047","","","","","","1.34","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204698","11.2","0.002","13.028","0.003","14.62","0.003","87.378","0.003","75.441","0.003","83.887","0.003","2052.6","0.7","150","","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H32 Fe Hg I4 N6 O2 -","- C78 H64 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.024","","","","0.037","","","","","","1.28","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204699","11.384","0.005","12.659","0.006","14.885","0.007","89.37","0.02","73.79","0.03","84.19","0.04","2048.9","1.7","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H30 Fe Hg I4 N6 O2 -","- C78 H60 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.05","","","","0.059","","","","","","1.86","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204700","11.585","0.006","12.543","0.007","17.013","0.008","70.16","0.03","76.87","0.03","84.26","0.03","2264","2","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C84 H76 Fe2 Hg2 I8 N16 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.043","","","","","","1.4","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204701","9.709","0.004","9.885","0.004","10.814","0.005","76.06","0.02","83.63","0.02","87.07","0.03","1000.8","0.7","294","","","","","","","","","","","7","P 1","P 1","1","","","","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","1","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.061","","","","0.068","","","","","","1.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204702","10.18","0.006","17.079","0.007","23.62","0.008","90","","97.22","0.03","90","","4074","3","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Fe Hg I4 N6 O1.5 -","- C36 H24 Fe Hg I4 N6 O1.5 -","- C144 H96 Fe4 Hg4 I16 N24 O6 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.63","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204703","19.18","0.006","19.465","0.003","13.492","0.004","90","","109.44","0.01","90","","4750","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C168 H152 Fe4 Hg4 I16 N32 O8 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.042","","","","","","1.3","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204704","11.442","0.011","12.816","0.007","14.937","0.009","82.22","0.04","81.78","0.04","82.97","0.04","2136","3","294","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H32 Fe Hg I4 N6 O2 S -","- C38 H30 Fe Hg I4 N6 O2 S -","- C76 H60 Fe2 Hg2 I8 N12 O4 S2 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.071","","","","0.088","","","","","","1.67","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204705","10.3426","0.0015","10.3426","0.0015","8.9709","0.0018","90","","90","","120","","831","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dilanthanum(iii)octahydrate","tris(galactarato)dilanthanum(III)octahydrate","","- C18 H40 La2 O32 -","- C18 H12 La2 O32.232 -","- C18 H12 La2 O32.232 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0228","0.0228","","","0.0596","0.0596","","","","","","1.156","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204706","10.288","0.0015","10.288","0.0015","8.9427","0.0018","90","","90","","120","","819.7","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dicerium(iii)octahydrate","tris(galactarato)dicerium(III)octahydrate","","- C18 H40 Ce2 O32 -","- C18 H12 Ce2 O31.296 -","- C18 H12 Ce2 O31.296 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0229","0.0229","","","0.0596","0.0596","","","","","","1.144","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204707","10.2182","0.0014","10.2182","0.0014","8.9084","0.0018","90","","90","","120","","805.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dipraseodymium(iii)octahydrate","tris(galactarato)dipraseodymium(III)octahydrate","","- C18 H40 O32 Pr2 -","- C18 H12 O32.58 Pr2 -","- C18 H12 O32.58 Pr2 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0315","0.0314","","","0.0773","0.0773","","","","","","1.081","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204708","10.2151","0.0014","10.2151","0.0014","8.9021","0.0018","90","","90","","120","","804.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dineodymium(iii)octahydrate","tris(galactarato)dineodymium(III)octahydrate","","- C18 H40 Nd2 O32 -","- C18 H12 Nd2 O32.148 -","- C18 H12 Nd2 O32.148 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0212","0.0211","","","0.0565","0.0565","","","","","","1.142","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204709","10.8647","0.0009","19.681","0.0016","19.974","0.0017","90","","90","","90","","4271","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dineodymium(iii)decahydrate","tetraaquotris(galactarato)dineodymium(III)decahydrate","","- C18 H52 Nd2 O38 -","- C18 H12 Nd2 O38 -","- C72 H48 Nd8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0769","0.0503","","","0.1016","0.1102","","","","","","1.086","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204710","10.761","0.004","19.427","0.007","19.681","0.007","90","","90","","90","","4114","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dieuropium(iii)decahydrate","tetraaquotris(galactarato)dieuropium(III)decahydrate","","- C18 H52 Eu2 O38 -","- C18 H12 Eu2 O38 -","- C72 H48 Eu8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.114","0.071","","","0.1249","0.1384","","","","","","1.145","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204715","11.049","0.002","9.568","0.002","8.767","0.002","90","","102.35","0.01","90","","905.4","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C48 H36 Fe4 -","2","0.5","","Maharaj, Felicia; McDonagh, Andrew; Scudder, Marcia; Craig, Don; Dance, Ian","Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc","CrystEngComm","2003","5","53","305","","10.1039/b307082d","","","0.71073","MoKα","","","0.025","","","","0.038","","","","","","1.47","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204716","13.1315","0.001","14.2151","0.0011","14.6358","0.0011","109.428","0.001","112.98","0.001","97.464","0.002","2263.3","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O8 -","- C55 H52 N2 O8 -","- C110 H104 N4 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0559","0.0406","","","0.0952","0.0984","","","","","","0.933","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204717","17.4271","0.0011","13.5493","0.0008","21.605","0.0014","90","","95.172","0.002","90","","5080.7","0.5","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N2 O8 -","- C62 H60 N2 O8 -","- C248 H240 N8 O32 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1109","0.0474","","","0.0743","0.0836","","","","","","0.717","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204718","11.5406","0.0006","14.0385","0.0008","15.682","0.0009","71.78","0.001","75.01","0.001","65.873","0.001","2177.2","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N2 O9 -","- C52 H56 N2 O9 -","- C104 H112 N4 O18 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0662","0.0532","","","0.1194","0.1276","","","","","","1.061","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204719","20.7807","0.0017","16.339","0.0014","15.4817","0.0013","90","","98.073","0.002","90","","5204.5","0.8","116","2","116","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 N4 O9 -","- C63 H65 N4 O9 -","- C252 H260 N16 O36 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0942","0.0565","","","0.146","0.1701","","","","","","1.02","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204720","15.9821","0.0016","14.3963","0.0015","23.765","0.002","90","","90","","90","","5467.9","0.9","116","2","116","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 N2 O4.5 -","- C33 H34 N2 O4.5 -","- C264 H272 N16 O36 -","8","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0978","0.0686","","","0.1871","0.2052","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204721","11.7903","0.0008","14.9265","0.001","15.6196","0.0011","94.159","0.001","92.529","0.001","100.758","0.001","2688.8","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H64 N4 O8 -","- C65 H64 N4 O8 -","- C130 H128 N8 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1021","0.073","","","0.1476","0.1614","","","","","","1.081","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204722","10.3752","0.0005","12.2621","0.0006","20.1337","0.001","95.181","0.001","103.948","0.001","94.166","0.001","2463.9","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N3 O8 -","- C62 H50 N3 O8 -","- C124 H100 N6 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0656","0.0538","","","0.1272","0.1354","","","","","","1.064","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204723","11.1453","0.0005","24.728","0.0012","13.097","0.0006","90","","102.415","0.001","90","","3525.1","0.3","116","2","116","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H41.25 N2 O5.25 -","- C42.75 H41.5 N2 O5.25 -","- C171 H166 N8 O21 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0911","0.0774","","","0.2096","0.2236","","","","","","0.916","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204729","6.358","0.002","8.744","0.003","13.594","0.007","90","","90","","90","","755.7","0.5","173","2","173","2","","","","","","","","5","P m n b","-P 2bc 2a","62","2-Chlorocarboxypyridinium Chloride","2-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","0.5","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0324","0.0308","","","0.0758","0.0767","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204730","7.2695","0.0005","4.9453","0.0003","20.2207","0.0016","90","","95.99","0.003","90","","722.96","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-Chlorocarboxypyridinium Chloride","3-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71073","MoKα","","0.0496","0.0357","","","0.083","0.0896","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204731","7.223","0.003","4.962","0.002","20.324","0.009","90","","97.06","0.001","90","","722.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorocarboxypyridinium Chloride","4-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride–hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0342","0.0283","","","0.0696","0.073","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204732","11.8327","0.0005","7.6628","0.0005","14.1769","0.0007","90","","138.21","0.003","90","","856.62","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Methylthio)thioxomethyl] Alanine","","- C5 H9 N O2 S2 -","- C5 H9 N O2 S2 -","- C20 H36 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0911","0.0497","","","0.1134","0.1324","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204733","8.8922","0.0014","7.4758","0.0016","14.305","0.002","90","","99.742","0.011","90","","937.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Ethylthio)thioxomethyl] Alanine","","- C6 H11 N O2 S2 -","- C6 H11 N O2 S2 -","- C24 H44 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1013","0.0505","","","0.1027","0.121","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204734","13.198","0.004","7.613","0.002","11.927","0.004","90","","116.71","0.01","90","","1070.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Isopropylthio)thioxomethyl] Alanine","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C28 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1638","0.0744","","","0.1749","0.2184","","","","","","1.01","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204735","14.046","0.002","10.84","0.001","8.852","0.001","90","","107.97","0.01","90","","1282","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Benzylthio)thioxomethyl] Alanine","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C44 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0716","0.0429","","","0.0994","0.1124","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204740","7.9431","0.0006","13.2946","0.0008","7.6992","0.0004","90","","104.125","0.004","90","","788.46","0.09","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br2 N -","- C6 H7 Br2 N -","- C24 H28 Br8 N4 -","4","1","","Jones, Peter G.; Vancea, Fabiola","Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds","CrystEngComm","2003","5","52","303","","10.1039/b309038h","","","0.71073","MoKα","","0.0229","0.0195","","","0.048","0.0488","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204741","6.7526","0.0012","8.1793","0.0015","14.806","0.003","92.114","0.004","93.148","0.004","99.358","0.004","804.8","0.3","150","5","150","5","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C20 H20 Cl12 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0974","0.0496","","","0.0936","0.1091","","","","","","0.983","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204742","6.8163","0.0007","8.9754","0.001","13.7869","0.0015","86.386","0.002","85.454","0.002","86.873","0.002","838.1","0.16","150","5","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Co N2 -","- C10 H10 Br2 Cl4 Co N2 -","- C20 H20 Br4 Cl8 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.047","0.038","","","0.0946","0.0988","","","","","","0.986","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204743","6.983","0.0007","16.1749","0.0016","15.7849","0.0015","90","","96.306","0.002","90","","1772.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co I2 N2 -","- C10 H10 Cl4 Co I2 N2 -","- C40 H40 Cl16 Co4 I8 N8 -","4","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0668","0.0362","","","0.0585","0.0653","","","","","","0.926","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204894","10.605","0.001","8.003","0.002","23.478","0.002","90","","90","","90","","1992.6","0.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Hg2 O4 S8 -","- C8 H12 Hg2 O4 S8 -","- C32 H48 Hg8 O16 S32 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:33",""
"7204895","26.27","0.02","13.654","0.008","13.863","0.005","90","","96.64","0.04","90","","4939","5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Hg N2 S4 -","- C18 H36 Hg N2 S4 -","- C144 H288 Hg8 N16 S32 -","8","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:34",""
"7204896","6.238","0.001","20.162","0.002","11.281","0.001","90","","104.63","0.01","90","","1372.8","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Hg P S2 -","- C10 H15 Hg P S2 -","- C40 H60 Hg4 P4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204897","17.308","0.001","7.558","0.003","9.978","0.002","90","","113.24","0.01","90","","1199.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Hg N2 S4 -","- C6 H12 Hg N2 S4 -","- C24 H48 Hg4 N8 S16 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","296841","2024-12-11","13:11:35",""
"7204899","9.814","0.003","10.667","0.003","15.655","0.004","90","","104.06","0.02","90","","1589.8","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 S8 Zn2 -","- C20 H40 N4 S8 Zn2 -","- C40 H80 N8 S16 Zn4 -","2","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","208196","2020-10-21","18:00:00",""
"7204900","9.8208","0.0003","10.7609","0.0003","15.9952","0.0004","90","","103.581","0.001","90","","1643.12","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cd N2 S4 -","- C10 H20 Cd N2 S4 -","- C40 H80 Cd4 N8 S16 -","4","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","208197","2020-10-21","18:00:00",""
"7205040","11.741","0.002","12.828","0.003","12.047","0.002","90","","108.46","0.03","90","","1721.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and Acridene","1:1 Molecular complex of TNB and Acridene","","- C19 H12 N4 O6 -","- C19 H12 N4 O6 -","- C76 H48 N16 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0949","0.0598","","","0.13","0.1554","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205041","10.962","0.002","13.48","0.003","12.092","0.002","90","","108.89","0.03","90","","1690.6","0.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and phenonthroline","1:1 Molecular Complex of TNB and 1,10-Phenonthroline","","- C18 H11 N5 O6 -","- C18 H11 N5 O6 -","- C72 H44 N20 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0587","0.049","","","0.1271","0.1408","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205042","7.0781","0.0014","9.7139","0.0019","15.787","0.003","86.83","0.03","88.33","0.03","83.08","0.03","1075.6","0.4","120","2","293","2","","","","","","","","4","P -1","-P 1","2","2:3 Complex of TNB and Phenazene","2:3 Complex of TNB and Phenazene","","- C24 H15 N6 O6 -","- C24 H15 N6 O6 -","- C48 H30 N12 O12 -","2","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0759","0.049","","","0.1251","0.1383","","","","","","0.966","","","","has coordinates","301863","2025-08-22","13:07:25",""
"7205043","13.977","0.009","18.93","0.01","10.148","0.008","105.71","0.06","106.23","0.07","82.19","0.05","2476","3","288.2","","288.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 Cr N6 O2 S14 -","- C39 H30 Cl2 Cr N6 O2 S14 -","- C78 H60 Cl4 Cr2 N12 O4 S28 -","2","1","","Sayaduzzaman, Mohammad; Katsuhara, Mao; Nii, Hirofumi; Kawamoto, Tadashi; Mori, Takehiko","Structural and magnetic properties of (C2TEO-TTP)[Cr(isoq)2(NCS)4]�CH2Cl2","CrystEngComm","2003","5","51","300","","10.1039/b307621k","","","0.7107","MoKα","","0.054","0.055","","0.068","","0.068","","","0.931","","","0.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216268","10.484","0.0002","19.531","0.0005","31.33","0.001","90","","93.382","0.0009","90","","6404.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H51.5 Cu N9.5 O12 -","- C47 H29 Cu N5 O3 -","- C188 H116 Cu4 N20 O12 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.1044","0.0703","","","0.1712","0.179","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216269","16.188","0.0004","19.606","0.0005","18.203","0.0005","90","","109.438","0.001","90","","5448","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 N8 O10 Zn -","- C65 H46 N8 O10 Zn -","- C260 H184 N32 O40 Zn4 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.0733","0.0471","","","0.1158","0.1307","","","","","","1.006","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216270","14.391","0.003","20.228","0.004","9.782","0.002","90","","91.96","0.03","90","","2845.9","1","293","2","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","4,4-bis(4-hydroxyphenyl)cyclohexanone","4,4-bis(4-hydroxyphenyl)cyclohexanone","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host–guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.0421","0.0373","","","0.076","0.0779","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216271","10.004","0.002","15.783","0.003","20.253","0.004","90","","94.79","0.03","90","","3186.6","1.1","293","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host–guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.1081","0.0697","","","0.1138","0.1263","","","","","","1.165","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216272","9.572","0.002","10.424","0.002","10.977","0.002","71.27","0.005","66.062","0.004","63.155","0.004","880.3","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","Rhodium(II) benzoate pyrazine","","","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1047","0.0694","","","0.2009","0.2197","","","","","","1.14","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216273","9.588","0.002","10.322","0.003","10.861","0.003","72.139","0.005","64.783","0.005","62.722","0.005","856","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","rhodium benzoate pyrazine","","","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1149","0.0706","","","0.1725","0.2139","","","","","","1.018","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216274","11.3947","0.0002","15.7982","0.0004","18.4861","0.0005","91.028","0.001","99.107","0.001","93.377","0.002","3278.88","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C156 H174 N6 O6 -","6","3","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.7107","MoKα","","0.157","0.0671","","","0.2034","0.2601","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216275","8.7451","0.0017","11.472","0.002","12.336","0.003","100.72","0.03","96.13","0.03","111.23","0.03","1112.8","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.71073","MoKα","","0.0919","0.0588","","","0.1382","0.159","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216276","19.763","0.009","13.835","0.004","10.175","0.004","90","","90","","90","","2782.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Phenyl imidazolium hydrogen cyclobutane-1,1-dicarboxylate 1","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0773","0.0438","","","0.0963","0.1069","","","","","","0.952","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216277","7.231","0.002","8.296","0.004","9.235","0.004","115.97","0.03","102.84","0.03","91.74","0.03","480.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","imidazolium hydrogen malonate 2","","","- C6 H7 N2 O5.57 -","- C6 H7 N2 O5.57 -","- C12 H14 N4 O11.14 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.1112","0.1053","","","0.2814","0.2902","","","","","","1.073","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216278","9.639","0.002","5.083","0.003","23.066","0.006","90","","106.817","0.019","90","","1081.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / succinic acid (1:1) cocrystal 3","","","- C11 H9.5 N2 O4 -","- C11 H9.5 N2 O4 -","- C44 H38 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0869","0.0499","","","0.1344","0.1454","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216279","10.157","0.004","5.13","0.007","26.067","0.006","90","","90.98","0.04","90","","1358","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / isophthalic acid (1:1) cocrystal 4","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C60 H40 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0929","0.0741","","","0.1925","0.2045","","","","","","1.042","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216280","3.824","0.001","9.108","0.001","22.252","0.002","90","","91.263","0.005","90","","774.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-formylcoumarin","4-formylcoumarin","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1192","0.0592","","","0.149","0.1762","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216281","7.098","0.001","8.58","0.001","14.328","0.002","90","","97.913","0.005","90","","864.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Chloro-4-formylcoumarin","6-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0392","0.0281","","","0.0756","0.0808","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216282","7.984","0.002","5.939","0.001","18.452","0.002","90","","101.333","0.005","90","","857.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-Chloro-4-formylcoumarin","7-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1763","0.0582","","","0.1091","0.1393","","","","","","1.004","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216283","8.122","0.001","10.216","0.001","10.709","0.002","90","","92.753","0.005","90","","887.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-4-formylcoumarin","7-bromo-4-formylcoumarin","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0698","0.0417","","","0.1035","0.1124","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216284","6.115","0.002","8.082","0.002","16.33","0.005","90","","94.23","0.01","90","","804.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Fluoro-4-formylcoumarin","6-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1088","0.0597","","","0.1563","0.1782","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216285","5.746","0.001","8.552","0.001","9.212","0.002","113.792","0.003","102.163","0.003","93.126","0.003","399.95","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","7-Fluoro-4-formylcoumarin","7-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C20 H10 F2 O6 -","2","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","x-ray","0.71073","MoKα","","0.1256","0.0585","","","0.1391","0.1611","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216286","9.6509","0.0012","16.0236","0.0019","21.118","0.003","110.872","0.002","95.888","0.003","97.949","0.002","2981.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H88.5 N1.5 O6 -","- C69 H88.5 N1.5 O6 -","- C138 H177 N3 O12 -","2","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.2246","0.0614","","","0.1074","0.1658","","","","","","0.835","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216287","13.938","0.0009","16.9178","0.0011","27.9606","0.0018","90","","99.621","0.002","90","","6500.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 N2 O6 -","- C70 H90 N2 O6 -","- C280 H360 N8 O24 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.156","0.0606","","","0.1304","0.1945","","","","","","1.038","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216288","38.419","0.002","21.8067","0.0014","21.1486","0.0013","90","","92.251","0.002","90","","17704.4","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H124 N4 O8 -","- C95.995 H121 N4 O8 -","- C767.96 H968 N32 O64 -","8","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.1669","0.0694","","","0.1635","0.2365","","","","","","1.041","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216289","20.1552","0.0009","22.9575","0.001","19.7543","0.0009","90","","112.455","0.002","90","","8447.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H118 N2 O8 -","- C91 H112 N1.5 O8 -","- C364 H448 N6 O32 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.0831","0.0568","","","0.1629","0.1783","","","","","","1.134","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216290","6.3603","0.0001","7.8252","0.0002","23.533","0.0005","90","","90","","90","","1171.25","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","Mo-Kα","","0.055","0.038","","0.064","","0.056","","","1.248","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216291","7.7049","0.0003","6.3055","0.0004","12.133","0.0008","90","","98.964","0.004","90","","582.26","0.06","173","","","","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","MoKα","","0.0541","0.039","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216292","12.4638","0.0012","11.6208","0.0012","26.636","0.003","90","","90","","90","","3857.9","0.7","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N5 O2 -","- C21 H19 N5 O2 -","- C168 H152 N40 O16 -","8","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.1009","0.0524","","","0.1343","0.1658","","","","","","1.038","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216293","8.7863","0.0006","8.9879","0.0006","12.6434","0.0009","96.415","0.001","90.783","0.001","108.94","0.001","937.16","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C40 H44 N8 O4 -","2","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.0644","0.051","","","0.1485","0.1556","","","","","","1.002","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216294","19.075","0.0018","19.075","0.0018","8.537","0.0008","90","","90","","90","","3106.2","0.5","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H17 N O2.25 -","- C18 H17 N O2.25 -","- C144 H136 N8 O18 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0779","0.0623","","","0.1632","0.1793","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216295","21.3642","0.0006","18.856","0.0009","8.7764","0.0006","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0782","0.0782","","","0.2078","0.2078","","","","","","1.344","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216296","16.758","0.004","11.135","0.003","17.341","0.004","90","","100.395","0.003","90","","3182.7","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N2 O6.5 -","- C14 H14 Cu N2 O6.5 -","- C112 H112 Cu8 N16 O52 -","8","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0842","0.0641","","","0.1501","0.1562","","","","","","1.223","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216297","7.942","0.003","9.106","0.003","10.593","0.003","109.296","0.004","99.716","0.004","101.034","0.004","687.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O4 Zn -","- C14 H14 N2 O4 Zn -","- C28 H28 N4 O8 Zn2 -","2","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0733","0.0582","","","0.1338","0.1402","","","","","","0.977","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216298","10.329","0.002","29.76","0.006","14.688","0.003","90","","108.28","0.03","90","","4287.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H48 N11 O16 Ru2 Sm -","- C27 H16 N11 O16 Ru2 Sm -","- C108 H64 N44 O64 Ru8 Sm4 -","4","1","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.","The crystal structure of [Sm(H2O)5][Ru2(bpy)2(CN)7]�11H2O, a novel mixed d?f coordination polymer","CrystEngComm","2003","5","88","495","","10.1039/b313122j","","","0.71073","MoKα","","0.0692","0.0596","","","0.1432","0.15","","","","","","1.141","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216299","11.011","0.003","13.105","0.003","6.789","0.001","90","","103.57","0.04","90","","952.3","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Fluorene-tetracianoquinodimethane complex","","","- C25 H14 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","0.25","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.0645","0.0582","","","0.1668","0.1726","","","","","","1.009","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216300","7.416","0.009","8.074","0.009","8.118","0.009","106.13","0.02","93.94","0.02","91.53","0.02","465.3","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","Fluorene-tetracyanobenzene complex","","","- C23 H12 N4 -","- C23 H10 N4 -","- C23 H10 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71073","MoKα","","0.186","0.1381","","","0.35","0.3893","","","","","","1.025","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216301","7.183","0.004","7.3","0.004","8.194","0.005","95.24","0.01","94.27","0.01","114.63","0.01","385.9","0.4","293","","293","2","","","","","","","","3","P -1","-P 1","2","Fluorene-Tetracyanoethilene complex","","","- C19 H10 N4 -","- C19 H8 N4 -","- C19 H8 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.1857","0.1203","","","0.2895","0.3342","","","","","","1.084","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216302","13.683","0.004","13.897","0.004","14.413","0.005","64.7","0.03","82.12","0.02","67.52","0.03","2288.4","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30.5 Br8 F1.5 N4 -","- C49.5 H30.5 Br8 F1.5 N4 -","- C99 H61 Br16 F3 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds","CrystEngComm","2003","5","75","422","","10.1039/b312062g","","","0.71073","MoKα","","","0.055","","","","0.06","","","","","","1.64","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216303","11.474","0.0011","11.5821","0.0014","10.965","0.0014","90","","106.67","0.018","90","","1395.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl Cu N2 O4 -","- C28 H24 Cl2 Cu2 N4 O8 -","- C56 H48 Cl4 Cu4 N8 O16 -","2","0.25","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0617","0.0467","","","0.1147","0.1221","","","","","","0.99","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216304","6.9874","0.001","11.7096","0.0019","11.8247","0.0017","112.339","0.017","96.728","0.017","102.93","0.018","850","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","1","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0525","0.0328","","","0.08","0.0879","","","","","","0.785","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216305","6.9688","0.0011","10.6469","0.0014","8.8115","0.0014","90","","109.047","0.018","90","","617.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0589","0.0371","","","0.0926","0.0983","","","","","","0.884","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216306","12.893","0.005","11.621","0.004","19.044","0.007","90","","90","","90","","2853.4","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B Cu F4 N2 S2 -","- C8 H14 B Cu F4 N2 S2 -","- C64 H112 B8 Cu8 F32 N16 S16 -","8","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.04","0.029","","","0.0941","0.1057","","","","","","0.815","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216307","6.671","0.002","16.939","0.008","12.941","0.004","90","","93.88","0.03","90","","1459","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 B2 Cu2 F8 N4 S4 -","- C16 H28 B2 Cu2 F8 N4 S4 -","- C32 H56 B4 Cu4 F16 N8 S8 -","2","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.7107","MoKα","","0.0451","0.0395","","","0.1021","0.1057","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216308","6.6496","0.0008","14.856","0.0017","17.325","0.002","90","","90","","90","","1711.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B Cu F4 N S4 -","- C10 H19 B Cu F4 N S4 -","- C40 H76 B4 Cu4 F16 N4 S16 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0493","0.0394","","","0.1091","0.1161","","","","","","0.848","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216309","12.1164","0.0017","16.379","0.002","19.486","0.003","90","","90","","90","","3867.1","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C76 H140 B12 Cl8 Cu12 F48 N12 S24 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0974","0.0572","","","0.142","0.1621","","","","","","1.028","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7216310","12.068","0.0002","15.433","0.0004","12.198","0.0003","90","","116.816","0.001","90","","2027.51","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br N6 Ni O4 S2 -","- C14 H21 Br N6 Ni O4 S2 -","- C56 H84 Br4 N24 Ni4 O16 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.0815","0.0527","","","0.1356","0.149","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216311","22.503","0.0013","9.465","0.0008","15.654","0.0012","90","","129.956","0.003","90","","2555.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 Br N6 O5 S2 Zn -","- C18 H31 Br N6 O5 S2 Zn -","- C72 H124 Br4 N24 O20 S8 Zn4 -","4","0.5","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.1284","0.0934","","","0.2183","0.2359","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216312","10.726","0.002","9.0275","0.0013","18.333","0.007","90","","97.24","0.02","90","","1761","0.8","293","2","293","2","","","","","","","From LKF","6","P 1 21/a 1","-P 2yab","14","benzthiazide-anhydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide","","- C15 H14 Cl N3 O4 S3 -","- C15 H14 Cl N3 O4 S3 -","- C60 H56 Cl4 N12 O16 S12 -","4","1","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","0.71069","MoKα","","0.064","0.0589","","0.1701","0.1642","","","","1.077","1.113","1.113","","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216313","12.243","0.002","4.905","0.002","31.957","0.003","90","","96.34","0.03","90","","1907.3","0.9","293","2","293","2","","","","","","","From LKF","6","P 1 21 1","P 2yb","4","benzthiazide-monohydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide monohydrate","","- C15 H16 Cl N3 O5 S3 -","- C15 H16 Cl N3 O5 S3 -","- C60 H64 Cl4 N12 O20 S12 -","4","2","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","1.54178","CuKα","","0.1084","0.055","","","0.1239","0.1443","","","","","","0.883","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216314","13.1148","0.0008","4.6992","0.0002","12.8071","0.0005","90","","107.9","0.001","90","","751.08","0.06","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Li O4 -","- C7 H7 Li O4 -","- C28 H28 Li4 O16 -","4","1","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium salicylate monohydrate: A layer structure with carboxylate-bridged ?- and ?-[(H2O)Li+]? helices","CrystEngComm","2003","5","90","503","","10.1039/b312892j","","","0.71073","MoKα","","0.0481","0.0438","","","0.1145","0.1185","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216315","3.8233","0.0007","8.6525","0.0015","17.748","0.003","90","","91.562","0.004","90","","586.91","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-(bis(mu-chloro)-bis(pyridine)-cadmium(ii)) (Compound 1)","catena-[bis(μ-chloro)-bis(pyridine)-cadmium(ii)] (Compound 1)","","- C10 H10 Cd Cl2 N2 -","- C10 H10 Cd Cl2 N2 -","- C20 H20 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0274","0.0219","","","0.0483","0.0496","","","","","","1.04","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216316","8.649","0.003","18.159","0.007","3.9182","0.0014","90","","90","","90","","615.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","catena-(bis(mu-bromo)-bis(pyridine)-cadmium(ii)) (Compound 2)","catena-[bis(μ-bromo)-bis(pyridine)-cadmium(ii)] (Compound 2)","","- C10 H10 Br2 Cd N2 -","- C10 H10 Br2 Cd N2 -","- C20 H20 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0461","0.0357","","","0.0816","0.0853","","","","","","1.111","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216317","8.848","0.004","17.79","0.007","18.666","0.008","90","","90","","90","","2938","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, RT dataset, 3a)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, RT dataset, 3a)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0851","0.0401","","","0.0755","0.0886","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216318","8.7603","0.0019","17.436","0.004","18.581","0.004","90","","90","","90","","2838.1","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, 120K dataset, 3b)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, 120K dataset, 3b)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0395","0.0317","","","0.0788","0.082","","","","","","1.138","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216319","3.8116","0.0005","14.2606","0.0019","11.989","0.0016","90","","91.767","0.004","90","","651.36","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-chloropyridine)-cadmium(ii)) (Compound 4)","catena-[bis(μ-chloro)-bis(3-chloropyridine)-cadmium(ii)] (Compound 4)","","- C10 H8 Cd Cl4 N2 -","- C10 H8 Cd Cl4 N2 -","- C20 H16 Cd2 Cl8 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0557","0.0463","","","0.1006","0.1044","","","","","","1.188","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216320","3.9079","0.001","14.392","0.004","12.238","0.003","90","","90.895","0.007","90","","688.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 5)","catena-[bis(μ-bromo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 5)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0725","0.0509","","","0.0817","0.0877","","","","","","1.085","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216321","4.1332","0.0018","14.45","0.006","12.977","0.006","90","","89.63","0.01","90","","775","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 6)","catena-[bis(μ-iodo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 6)","","- C10 H8 Cd Cl2 I2 N2 -","- C10 H8 Cd Cl2 I2 N2 -","- C20 H16 Cd2 Cl4 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0303","0.0266","","","0.0587","0.0603","","","","","","1.097","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216322","3.8538","0.0008","14.404","0.003","12.082","0.002","90","","91.377","0.005","90","","670.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-bromopyridine)-cadmium(ii)) (Compound 7)","catena-[bis(μ-chloro)-bis(3-bromopyridine)-cadmium(ii)] (Compound 7)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.041","0.0294","","","0.0621","0.0658","","","","","","0.987","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216323","3.9452","0.0014","14.578","0.005","12.286","0.004","90","","91.029","0.008","90","","706.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 8)","catena-[bis(μ-bromo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 8)","","- C10 H8 Br4 Cd N2 -","- C10 H8 Br4 Cd N2 -","- C20 H16 Br8 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.027","0.0232","","","0.0539","0.0554","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216324","4.1429","0.0007","14.657","0.003","12.946","0.002","90","","90.162","0.004","90","","786.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 9)","catena-[bis(μ-iodo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 9)","","- C10 H8 Br2 Cd I2 N2 -","- C10 H8 Br2 Cd I2 N2 -","- C20 H16 Br4 Cd2 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0302","0.0274","","","0.0629","0.0637","","","","","","1.103","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216325","3.8726","0.0005","14.613","0.002","11.8992","0.0017","90","","92.449","0.003","90","","672.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-methylpyridine)-cadmium(ii)) (Compound 10)","catena-[bis(μ-chloro)-bis(3-methylpyridine)-cadmium(ii)] (Compound 10)","","- C12 H14 Cd Cl2 N2 -","- C12 H14 Cd Cl2 N2 -","- C24 H28 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0443","0.0301","","","0.0638","0.0678","","","","","","1.012","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216326","3.98","0.0006","14.738","0.002","12.1051","0.0017","90","","91.971","0.003","90","","709.63","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 11)","catena-[bis(μ-bromo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 11)","","- C12 H14 Br2 Cd N2 -","- C12 H14 Br2 Cd N2 -","- C24 H28 Br4 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0385","0.0284","","","0.064","0.0672","","","","","","1.001","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216327","9.6737","0.0015","15.49","0.002","11.392","0.0019","90","","100.329","0.003","90","","1679.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.049","0.0369","","","0.092","0.0978","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216328","9.5708","0.0015","15.222","0.002","11.348","0.0018","90","","100.122","0.003","90","","1627.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, 120K dataset, 12b)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, 120K dataset, 12b)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0261","0.0222","","","0.0506","0.0521","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216329","11.796","0.003","12.084","0.003","3.7716","0.0009","90","","90","","90","","537.6","0.2","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-chloro)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 13, 120K data)","net-[bis(μ-chloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 120K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0424","0.026","","","0.0586","0.0643","","","","","","1.116","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216330","11.749","0.005","12.067","0.005","3.7748","0.0014","90","","90","","90","","535.2","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, RT data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.043","0.0254","","","0.059","0.0665","","","","","","1.079","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216331","11.753","0.002","12.107","0.003","3.7959","0.0008","90","","90","","90","","540.1","0.2","450","2","450","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 450K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0507","0.0263","","","0.0563","0.0635","","","","","","1.077","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216332","11.7966","0.0014","12.5019","0.0015","3.8851","0.0005","90","","90","","90","","572.97","0.12","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-bromo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 14, 120K data)","net-[bis(μ-bromo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 120K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0714","0.0347","","","0.0772","0.0922","","","","","","1.047","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216333","11.7857","0.001","12.5282","0.001","3.9105","0.0003","90","","90","","90","","577.4","0.08","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-beomo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 293K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0625","0.0287","","","0.0597","0.0702","","","","","","1.015","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216334","11.8081","0.0012","13.0971","0.0013","4.1423","0.0004","90","","90","","90","","640.61","0.11","120","2","120","2","","","","","","","","5","C m m m","-C 2 2","65","net-(bis(mu-iodo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 15, 120K data)","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 120K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0246","0.0201","","","0.0445","0.0462","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216335","11.837","0.002","13.138","0.003","4.155","0.0008","90","","90","","90","","646.2","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 150K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0582","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216336","11.83","0.002","13.138","0.002","4.1569","0.0008","90","","90","","90","","646.08","0.19","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 180K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0328","0.0268","","","0.063","0.065","","","","","","1.052","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216337","11.822","0.002","13.135","0.002","4.1591","0.0008","90","","90","","90","","645.83","0.19","210","2","210","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 210K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0331","0.0254","","","0.0581","0.0609","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216338","11.83","0.002","13.15","0.002","4.1667","0.0008","90","","90","","90","","648.19","0.19","240","2","240","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 240K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0374","0.029","","","0.0643","0.0687","","","","","","1.059","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216339","11.792","0.002","13.118","0.003","4.1585","0.0009","90","","90","","90","","643.3","0.2","270","2","270","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 270K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0362","0.0281","","","0.0625","0.0658","","","","","","1.101","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216340","11.828","0.0011","13.1531","0.0011","4.1751","0.0004","90","","90","","90","","649.54","0.1","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 293K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0418","0.0287","","","0.0538","0.0559","","","","","","1.217","","","","has coordinates","180494","2020-10-21","18:00:00",""