# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T09:49:05+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","180376","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","205752","2020-10-21","18:00:00",""
"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","180376","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","275182","2022-05-07","01:28:21",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","180377","2020-10-21","18:00:00",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","194607","2020-10-21","18:00:00",""
"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 catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","194607","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","180377","2020-10-21","18:00:00",""
"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","180378","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","202017","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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","213973","2020-10-21","18:00:00",""
"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 H14 Hg2 O4 S8 -","- C32 H56 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","209427","2020-10-21","18:00:00",""
"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 H37 Hg N2 S4 -","- C144 H296 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","287982","2023-12-04","12:39:26",""
"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 H16 Hg P S2 -","- C40 H64 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","209427","2020-10-21","18:00:00",""
"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 H13 Hg N2 S4 -","- C24 H52 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","209427","2020-10-21","18:00:00",""
"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","198633","2020-10-21","18:00:00",""
"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","180381","2020-10-21","18:00:00",""
"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","288183","2023-12-08","14:43:01",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","180493","2020-10-21","18:00:00",""
"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","176432","2020-10-21","18:00:00",""
"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","176453","2020-10-21","18:00:00",""
"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","180494","2020-10-21","18:00:00",""
"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",""