# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T13:01:08+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 = 21 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
"1551207","34.673","0.006","12.09","0.002","17.728","0.003","90","","119.214","0.002","90","","6486.2","1.9","200","2","200","2","","","","","","","no","4","C 1 2/c 1","-C 2yc","15","C18NMeCarbacage","C18NMeCarbaCage","","- C67 H117 N Si2 -","- C67 H117 N Si2 -","- C268 H468 N4 Si8 -","4","0.5","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.1726","0.1083","","","0.3444","0.3993","","","","","","1.291","","","","has coordinates,has disorder","223574","2020-10-21","18:00:00",""
"1551208","15.104","0.007","6.317","0.004","20.8662","0.001","90","","96.345","0.011","90","","1978.7","1.6","100","2","100","2","","","","","","","no","4","P 1 21/n 1","-P 2yn","14","TMS2MeCarba","TMS2MeCarba","","- C19 H27 N Si2 -","- C19 H27 N Si2 -","- C76 H108 N4 Si8 -","4","1","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.0605","0.0487","","","0.1114","0.114","","","","","","0.889","","","","has coordinates","301780","2025-08-18","21:43:23",""
"7231067","7.5056","0.0003","25.0862","0.0009","15.2376","0.0006","90","","93.195","0.002","90","","2864.58","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N11 O7 -","- C26 H37 N11 O7 -","- C104 H148 N44 O28 -","4","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0471","0.0414","","","0.1073","0.111","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231068","6.6482","0.0003","8.7311","0.0004","10.9852","0.0005","82.631","0.002","84.273","0.002","83.701","0.003","626.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0434","0.0351","","","0.0855","0.0896","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231305","7.2851","0.0014","9.0281","0.0017","38.51","0.007","90","","95.23","0.003","90","","2522.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Indapamide-4,4'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-pyridin-4-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0477","0.042","","","0.1073","0.1109","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231306","7.3151","0.0002","8.937","0.0003","38.9526","0.0012","90","","93.702","0.002","90","","2541.21","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-2,2'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-2-pyridin-2-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1741","0.0798","","","0.1289","0.1536","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231307","7.765","0.007","8.741","0.008","34.52","0.03","90","","93.96","0.04","90","","2337","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-methylpyridone cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-6-methyl-2-pyridone","","- C22 H23 Cl N4 O4 S -","- C22 H23 Cl N4 O4 S -","- C88 H92 Cl4 N16 O16 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0785","0.0606","","","0.1354","0.1436","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231308","7.1759","0.0003","9.4074","0.0004","39.0523","0.0017","90","","93.389","0.002","90","","2631.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-Phenazine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-phenazine","","- C28 H24 Cl N5 O3 S -","- C28 H24 Cl N5 O3 S -","- C112 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0583","0.0531","","","0.1255","0.1282","","","","","","1.14","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231309","12.2238","0.0002","14.8267","0.0003","16.2328","0.0003","93.228","0.001","107.264","0.001","90.122","0.001","2804.46","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate","","- C28 H28 Cl N5 O4 S -","- C28 H28 Cl N5 O4 S -","- C112 H112 Cl4 N20 O16 S4 -","4","2","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1217","0.0717","","","0.1596","0.1793","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231361","8.0291","0.0002","17.5002","0.0004","14.6076","0.0003","90","","107.827","0.001","90","","1953.97","0.08","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0541","0.043","","","0.0996","0.105","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231714","8.9461","0.0006","16.1753","0.001","20.8774","0.0017","90","","100.396","0.008","90","","2971.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1252","0.0655","","","0.1767","0.2168","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231715","18.1061","0.0011","13.5141","0.0007","17.5192","0.0009","90","","111.113","0.006","90","","3999","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Cl4 N10 O8 S -","- C72 H104 Cl4 N10 O8 S -","- C144 H208 Cl8 N20 O16 S2 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1186","0.0683","","","0.1422","0.1716","","","","","","1.082","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231716","9.0143","0.0006","15.6469","0.0017","21.0997","0.0015","90","","98.821","0.007","90","","2940.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.21","0.0818","","","0.185","0.2331","","","","","","1.154","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231717","13.2635","0.0009","16.5661","0.0012","28.231","0.003","90","","93.852","0.007","90","","6189","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Br2 N6 O6 -","- C56 H94 Br2 N6 O6 -","- C224 H376 Br8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2285","0.0743","","","0.156","0.2268","","","","","","1","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231718","13.2862","0.0006","16.574","0.0008","28.0803","0.0013","90","","93.874","0.005","90","","6169.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Cl2 N6 O6 -","- C56 H94 Cl2 N6 O6 -","- C224 H376 Cl8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1521","0.0797","","","0.1791","0.2165","","","","","","1.179","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231719","8.4539","0.0007","10.2145","0.0008","18.1488","0.0015","92.095","0.007","99.967","0.007","107.977","0.007","1461.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1558","0.0853","","","0.2052","0.2478","","","","","","0.978","","","","has coordinates,has disorder","223518","2020-10-21","18:00:00",""
"7231720","8.9473","0.0016","16.101","0.004","21.153","0.004","90","","100.9","0.02","90","","2992.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br4 N6 O2 -","- C52 H88 Br4 N6 O2 -","- C104 H176 Br8 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1625","0.0777","","","0.1773","0.2301","","","","","","1.183","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231721","8.2364","0.0009","10.9069","0.0014","20.0064","0.0017","85.053","0.008","79.089","0.008","81.371","0.01","1741.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2318","0.0922","","","0.1801","0.2317","","","","","","1.148","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231722","8.4459","0.0005","11.6202","0.001","15.6367","0.0011","82.597","0.007","83.548","0.005","86.964","0.006","1511.05","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.0958","0.064","","","0.1684","0.2022","","","","","","0.871","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231736","28.861","0.006","9.191","0.002","17.149","0.003","90","","111.76","0.03","90","","4224.8","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Hg N6 O S2 -","- C20 H14 Hg N6 O S2 -","- C160 H112 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.0561","0.0366","","","0.083","0.088","","","","","","0.8291","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231737","12.9176","0.0003","7.7756","0.0002","17.4321","0.0004","90","","93.026","0.001","90","","1748.48","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Hg N6 O S2 -","- C15 H12 Hg N6 O S2 -","- C60 H48 Hg4 N24 O4 S8 -","4","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.046","0.0256","","","0.0441","0.0497","","","","","","0.9895","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231754","7.309","0.011","16.54","0.02","6.169","0.009","90","","108.823","0.015","90","","705.9","1.7","159","2","159","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1615","0.1024","","","0.2479","0.2717","","","","","","1.232","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231755","5.568","0.0016","7.214","0.002","31.782","0.009","89.956","0.006","85.324","0.004","89.866","0.004","1272.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0791","0.0548","","","0.1456","0.159","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231757","5.565","0.003","7.183","0.004","27.043","0.014","90.145","0.007","91.445","0.007","90.099","0.007","1080.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1693","0.0725","","","0.1684","0.2063","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231758","9.173","0.003","5.6554","0.0017","17.357","0.005","90","","104.928","0.003","90","","870","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1114","0.1192","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231760","38.19","0.02","4.088","0.002","9.951","0.005","90","","90.206","0.01","90","","1553.5","1.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0937","0.0841","","","0.2448","0.2534","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231761","5.5474","0.0007","7.1923","0.0009","36.076","0.005","89.983","0.003","89.626","0.004","89.903","0.003","1439.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1574","0.1012","","","0.2479","0.2778","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231779","24.47","0.02","24.029","0.017","17.149","0.012","90","","90.869","0.018","90","","10082","13","292","2","292","","","","","","","","","4","C 1 2/m 1","-C 2y","12","WUF-19","","","- C48 H31 O13.5 Zn4 -","- C48 H31 O13.5 Zn4 -","- C192 H124 O54 Zn16 -","4","0.5","","Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher","High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks","CrystEngComm","2019","21","1","60","","10.1039/C8CE01740A","","","1.54178","CuKα","","0.237","0.181","","","0.4599","0.4986","","","","","","2.771","","","","has coordinates,has disorder","223520","2020-10-21","18:00:00",""
"7231792","5.06","0.006","6.392","0.008","15.823","0.018","87.32","0.04","83.9","0.04","71.23","0.02","481.8","1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F N2 O5 -","- C7 H10 F N2 O5 -","- C14 H20 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71073","MoKα","","0.0582","0.0489","","","0.1351","0.1434","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231793","5.443","0.009","5.845","0.009","14.47","0.02","92.228","0.018","94.392","0.009","110.98","0.03","427.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F N2 O5 -","- C6 H8 F N2 O5 -","- C12 H16 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71075","MoKα","","0.0744","0.0521","","","0.1386","0.1537","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231794","13.215","0.005","10.327","0.005","16.162","0.005","90","0.005","93.56","0.005","90","0.005","2201.4","1.5","296","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0636","0.0471","","","0.1211","0.1356","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231795","20.941","0.005","11.461","0.005","22.337","0.005","90","0.005","107.49","0.005","90","0.005","5113","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N10 S4 Zn -","- C50 H56 N10 S4 Zn -","- C200 H224 N40 S16 Zn4 -","4","0.5","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0911","0.0457","","","0.108","0.1298","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231796","11.226","0.005","11.535","0.005","11.969","0.005","108.012","0.005","100.682","0.005","90.099","0.005","1445.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Hg N6 S3 -","- C26 H27 Hg N6 S3 -","- C52 H54 Hg2 N12 S6 -","2","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0457","0.0308","","","0.0752","0.0834","","","","","","1.035","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231837","11.1935","0.0006","9.2331","0.0005","16.7061","0.0008","90","","94.587","0.002","90","","1721.06","0.15","100","2","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Cl2 N4 O7 Zn -","- C35 H34 Cl2 N4 O7 Zn -","- C70 H68 Cl4 N8 O14 Zn2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","x-ray","0.71073","MoKα","","0.0363","0.027","","","0.0734","0.0785","","","","","","1.059","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231838","9.8295","0.0005","10.6901","0.0005","13.3737","0.0007","98.589","0.002","94.244","0.002","97.801","0.002","1370.28","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 N4 O6 Zn -","- C26 H22 Cl4 N4 O6 Zn -","- C52 H44 Cl8 N8 O12 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.1146","0.0472","","","0.08","0.0946","","","","","","0.988","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231839","4.9197","0.0009","9.297","0.002","12.906","0.003","109.588","0.015","98.253","0.015","91.039","0.016","549","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.1767","0.0819","","","0.1742","0.2223","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231841","8.6209","0.0004","17.8581","0.0007","8.0036","0.0003","90","","90.903","0.003","90","","1232.02","0.09","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Ag F6 N4 O4 Sb -","- C26 H16 Ag F6 N4 O4 Sb -","- C52 H32 Ag2 F12 N8 O8 Sb2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0482","0.0362","","","0.0957","0.1055","","","","","","1.036","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231844","21.805","0.0006","12.6126","0.0004","16.2518","0.0005","90","","107.833","0.001","90","","4254.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl4 Cu Na O6 S4 -","- C36 H52 Cl4 Cu Na O6 S4 -","- C144 H208 Cl16 Cu4 Na4 O24 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0437","0.0344","","","0.0913","0.1087","","","","","","1.1","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231845","7.8265","0.0011","13.197","0.0014","44.68","0.007","90","","92.759","0.005","90","","4609.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AG35_LT","","","- C68 H46 Cl16 Cu8 N10 S16 -","- C68 H46 Cl16 Cu8 N10 S16 -","- C136 H92 Cl32 Cu16 N20 S32 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0942","0.0496","","","0.1128","0.1558","","","","","","1.051","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231846","26.295","0.004","3.9413","0.0007","17.479","0.003","90","","102.299","0.006","90","","1769.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG27","","","- C12 H4 Cl4 Cu O Rb S4 -","- C12 H4 Cl4 Cu O Rb S4 -","- C48 H16 Cl16 Cu4 O4 Rb4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0987","0.0424","","","0.0966","0.1501","","","","","","1.09","","","","has coordinates,has disorder","223600","2020-10-21","18:00:00",""
"7231847","26.2707","0.001","3.9461","0.0002","17.367","0.0007","90","","102.37","0.002","90","","1758.58","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG18_LT","","","- C12 H4 Cl4 Cu K O S4 -","- C12 H4 Cl4 Cu K O S4 -","- C48 H16 Cl16 Cu4 K4 O4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0592","0.0403","","","0.105","0.1366","","","","","","1.12","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231848","12.2137","0.0004","12.4992","0.0005","15.7574","0.0005","90","","109.812","0.002","90","","2263.16","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl4 Cu K O6 S4 -","- C36 H52 Cl4 Cu K O6 S4 -","- C72 H104 Cl8 Cu2 K2 O12 S8 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0955","0.0552","","","0.1588","0.2052","","","","","","1.047","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231865","17.779","0.002","17.779","0.002","17.779","0.002","90","","90","","90","","5619.8","1.1","153","2","153","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Al13 H12 Na O70 S4 -","- Al13 H24 Na O70.0004 S4 -","- Al52 H96 Na4 O280.002 S16 -","4","0.0416667","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1148","0.1096","","","0.2274","0.2358","","","","","","1.321","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231881","10.593","0.0004","15.5318","0.0008","21.2702","0.0009","71.268","0.004","79.79","0.003","85.077","0.004","3260.1","0.3","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Eu2 N O20 -","- C61 H25 Eu2 N O20 -","- C122 H50 Eu4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0497","0.0433","","","0.1179","0.122","","","","","","1.103","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231882","10.5886","0.0003","15.1959","0.0006","21.2747","0.0008","71.86","0.003","79.293","0.003","82.292","0.003","3185.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H30 N O20 Tb2 -","- C61 H30 N O20 Tb2 -","- C122 H60 N2 O40 Tb4 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0467","0.0382","","","0.1007","0.1055","","","","","","1.056","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231883","10.5924","0.0002","15.1775","0.0005","21.2599","0.0006","71.994","0.003","79.331","0.002","82.276","0.002","3183.38","0.16","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Dy2 N O20 -","- C61 H25 Dy2 N O20 -","- C122 H50 Dy4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.058","0.0493","","","0.1351","0.1423","","","","","","1.053","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231884","10.604","0.0003","15.2602","0.0006","21.269","0.0008","71.882","0.004","79.392","0.003","82.535","0.003","3205.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H25 Gd2 N4 O22 -","- C61 H25 Gd2 N O20 -","- C122 H50 Gd4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.1066","0.0817","","","0.2342","0.2543","","","","","","1.105","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00",""
"7231886","28.685","0.012","18.298","0.008","18.24","0.008","90","","122.743","0.006","90","","8053","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H78 Cu4 Mo10 N12 O65 P4 -","- C12 H40 Cu4 Mo10 N12 O65 P4 -","- C48 H160 Cu16 Mo40 N48 O260 P16 -","4","0.5","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0345","0.0321","","","0.0877","0.0893","","","","","","1.037","","","","has coordinates,has disorder","223739","2020-10-21","18:00:00",""
"7231887","7.6961","0.00014","10.9153","0.0002","27.2368","0.0005","90","","96.1341","0.0007","90","","2274.93","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amodiaquine Dihydrochloride Dihydrate","4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate.","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation","CrystEngComm","2019","21","13","2053","","10.1039/C8CE01720D","","","1.54186","CuKα","","0.0484","0.0437","","","0.1102","0.1135","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231890","7.6177","0.0005","6.5936","0.0004","22.5748","0.0014","90","","97.516","0.001","90","","1124.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0369","","","0.0955","0.0999","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231891","3.9358","0.0005","15.944","0.002","20.68","0.003","90","","90.305","0.002","90","","1297.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0342","","","0.0843","0.0894","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231892","10.1018","0.0005","11.3577","0.0005","21.6477","0.001","90","","98.4472","0.0007","90","","2456.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0423","0.0357","","","0.0902","0.0944","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231901","7.1167","0.0004","7.2147","0.0003","13.2268","0.0004","81.973","0.003","99.788","0.004","117.046","0.004","594.55","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0533","0.0372","","","0.0713","0.076","","","","","","1.144","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231902","7.1593","0.0005","7.2533","0.0005","13.4894","0.0009","82.358","0.007","99.999","0.005","117.321","0.007","611.75","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B O13 Rb3 Sb4 -","- B O13 Rb3 Sb4 -","- B2 O26 Rb6 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0463","0.0337","","","0.0668","0.0712","","","","","","1.153","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231903","7.1456","0.0005","7.239","0.0008","13.4113","0.0007","82.058","0.007","100.051","0.006","117.205","0.005","606.16","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- B K0.99 O13 Rb2.01 Sb4 -","- B K0.985 O13 Rb2.015 Sb4 -","- B2 K1.97 O26 Rb4.03 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0423","0.0338","","","0.0748","0.0777","","","","","","1.217","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231905","5.6867","0.0003","5.6867","0.0003","5.6867","0.0003","90","","90","","90","","183.9","0.017","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Cl3 N Pb -","- C1.0008 Cl3 N1.0008 Pb -","- C1.0008 Cl3 N1.0008 Pb -","1","0.0208333","","Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh","Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method","CrystEngComm","2019","21","4","656","","10.1039/C8CE01939H","","","0.71073","MoKα","","0.0347","0.0347","","","0.0665","0.0665","","","","","","1.27","","","","has coordinates","223576","2020-10-21","18:00:00",""
"7231906","6.8028","0.0012","8.47","0.0015","11.01","0.002","73.643","0.005","87.812","0.005","75.045","0.005","587.69","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","1","0.5","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0684","0.0431","","","0.0783","0.0835","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231907","7.889","0.0011","8.2289","0.0008","19.101","0.002","90","","96.213","0.004","90","","1232.7","0.2","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cu2 N6 O8 -","- C8 H5 Cu2 N6 O8 -","- C32 H20 Cu8 N24 O32 -","4","1","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0399","0.0306","","","0.0756","0.08","","","","","","1.033","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231908","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231909","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231912","15.8546","0.0003","11.2212","0.0002","19.1473","0.0004","90","","93.305","0.002","90","","3400.79","0.11","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 I2 N10 -","- C30 H40 Cu2 I2 N10 -","- C120 H160 Cu8 I8 N40 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","1.54184","CuKα","","0.0577","0.0475","","","0.1335","0.1429","","","","","","1.114","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231913","8.213","0.0007","10.6509","0.0007","24.483","0.002","90","","94.124","0.007","90","","2136.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AB96","","","- C16 H24 Cl2 Cu2 N6 O2 -","- C16 H24 Cl2 Cu2 N6 O2 -","- C64 H96 Cl8 Cu8 N24 O8 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","","0.71073","MoKα","","0.0765","0.0472","","","0.1004","0.1184","","","","","","1.06","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231914","8.9045","0.0004","14.2825","0.0004","12.8264","0.0007","90","","95.806","0.005","90","","1622.87","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br4 Cu4 N8 O4 -","- C24 H36 Br4 Cu4 N8 O4 -","- C48 H72 Br8 Cu8 N16 O8 -","2","0.5","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","0.71073","MoKα","","0.0463","0.0349","","","0.0867","0.0911","","","","","","1.016","","","","has coordinates,has disorder","223591","2020-10-21","18:00:00",""
"7231915","9.949","0.005","11.344","0.005","12.395","0.005","98.565","0.005","90.042","0.005","91.149","0.005","1383","1.1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N5 O7 -","- C29 H25 Cd N5 O7 -","- C58 H50 Cd2 N10 O14 -","2","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.1283","0.0527","","","0.0977","0.1266","","","","","","0.961","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231917","19.278","0.002","30.847","0.004","31.788","0.004","103.418","0.0015","99.2516","0.0015","95.3487","0.0015","17980","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Li O U -","- Li86.352 O783.222 U96 -","- Li86.352 O783.222 U96 -","1","0.5","","Traustason, H.; Aksenov, S. M.; Burns, P. C.","The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24","CrystEngComm","2019","21","3","390","","10.1039/C8CE01774C","","","1.5478","","","0.0742","0.0484","","","0.1467","0.1625","","","","","","1.075","","","","has coordinates","223741","2020-10-21","18:00:00",""
"7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231923","9.4744","0.0011","15.4187","0.0017","26.876","0.003","90","","91.64","0.007","90","","3924.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 I3 N S6 -","- C13 H6 I3 N S6 -","- C104 H48 I24 N8 S48 -","8","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.1467","0.1289","","","0.277","0.2832","","","","","","1.199","","","","has coordinates,has disorder","223578","2020-10-21","18:00:00",""
"7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231925","7.7442","0.0005","7.744","0.0005","26.3522","0.0016","81.877","0.002","83.912","0.002","65.73","0.002","1424.22","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N2 S12 -","- C26 H14 N2 S12 -","- C52 H28 N4 S24 -","2","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0655","0.0421","","","0.0937","0.1023","","","","","","0.976","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231926","3.8349","0.0002","14.8206","0.0006","13.7718","0.0005","90","","92.231","0.002","90","","782.13","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 N O S2 -","- C8 H3 N O S2 -","- C32 H12 N4 O4 S8 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C–N⋯H–C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1152","0.1222","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00",""
"7231928","12.99","0.003","17.916","0.004","20.699","0.005","90","","106.068","0.003","90","","4629.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1152","0.095","","","0.3234","0.3381","","","","","","1.374","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231929","10.236","0.002","13.402","0.003","15.695","0.004","64.813","0.006","74.226","0.006","83.78","0.006","1874.9","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H36 O11 -","- C45 H36 O11 -","- C90 H72 O22 -","2","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1611","0.0702","","","0.1562","0.1963","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231931","22.73","0.02","26.88","0.02","28.36","0.04","90","","90","","90","","17327","3","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H52 O11 -","- C44 H52 O11 -","- C704 H832 O176 -","16","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0963","0.0755","","","0.2592","0.2927","","","","","","1.185","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231932","10.6822","0.0018","17.951","0.003","23.18","0.004","90","","95.295","0.003","90","","4425.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 O12 -","- C45 H52 O12 -","- C180 H208 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1457","0.0975","","","0.2736","0.3252","","","","","","1.083","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7231933","10.6209","0.0014","17.125","0.002","22.296","0.003","90","","95.218","0.002","90","","4038.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H51 O13 -","- C42.25 H51 O13 -","- C169 H204 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1129","0.0869","","","0.2315","0.2495","","","","","","1.017","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231934","18.745","0.007","18.745","0.007","16.688","0.006","90","","90","","90","","5864","4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H68 N4 O12 -","- C64 H68 N4 O12 -","- C256 H272 N16 O48 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0621","0.0468","","","0.1394","0.1486","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231936","7.148","0.0002","9.283","0.0002","17.067","0.0006","105.716","0.0009","98.767","0.001","95.949","0.0014","1064.83","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0451","0.0382","","","0.0912","0.0951","","","","","","1.059","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231937","7.1653","0.0003","10.1441","0.0005","16.1968","0.001","86.971","0.004","82.27","0.004","71.257","0.004","1104.65","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 N2 O3 Re -","- C19 H12 Br Cl4 N2 O3 Re -","- C38 H24 Br2 Cl8 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.041","0.0353","","","0.0691","0.0722","","","","","","1.031","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231938","7.3756","0.0004","8.8914","0.0004","16.9636","0.001","98.004","0.004","90.442","0.005","105.113","0.004","1062.4","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C38 H24 Br4 Cl2 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0727","0.0527","","","0.1244","0.1355","","","","","","1.023","","","","has coordinates,has disorder","223521","2020-10-21","18:00:00",""
"7231939","7.36","0.0001","9.208","0.0003","16.59","0.0005","101.508","0.001","94.97","0.002","98.653","0.002","1081.25","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C38 H24 Br2 Cl4 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0331","0.027","","","0.077","0.093","","","","","","1.261","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231940","7.121","0.0001","33.788","0.0007","9.478","0.0002","90","","96.024","0.0008","90","","2267.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl5 N2 O3 Re -","- C19 H12 Cl5 N2 O3 Re -","- C76 H48 Cl20 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0618","0.0336","","","0.0532","0.0596","","","","","","1.012","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231941","15.453","0.0005","7.073","0.0002","23.529","0.0008","90","","126.135","0.0011","90","","2076.98","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C76 H48 Cl12 F8 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0671","0.0435","","","0.0957","0.1081","","","","","","1.03","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231942","7.3006","0.0005","11.598","0.0007","12.6789","0.0008","104.105","0.005","97.855","0.005","96.998","0.005","1017.88","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0361","0.0321","","","0.0556","0.0583","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231943","7.2547","0.0004","26.904","0.0016","12.6293","0.0007","90","","93.127","0.006","90","","2461.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0442","0.0331","","","0.0542","0.0571","","","","","","1.098","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231944","9.6938","0.0001","12.9012","0.0002","22.2519","0.0003","90","","91.119","0.001","90","","2782.33","0.06","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0619","0.0379","","","0.0848","0.0918","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231945","14.5589","0.0003","13.8558","0.0003","23.7553","0.0004","90","","101.602","0.002","90","","4694.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 I6 N2 Pt2 -","- C32 H72 I6 N2 Pt2 -","- C128 H288 I24 N8 Pt8 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0299","0.0219","","","0.0385","0.0406","","","","","","1.046","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231946","9.3533","0.0005","12.0866","0.0007","14.5096","0.0006","80.144","0.004","75.835","0.004","78.965","0.005","1547.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F5 I4 N Pt -","- C22 H36 F5 I4 N Pt -","- C44 H72 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0424","0.0321","","","0.0729","0.0792","","","","","","1.047","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231962","9.5969","0.0007","10.9992","0.0012","14.5293","0.0012","87.894","0.012","72.005","0.009","75.7836","0.001","1412.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.037","0.0246","","","0.0546","0.0577","","","","","","0.937","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231963","9.822","0.003","10.107","0.004","12.444","0.004","85.67","0.03","86.14","0.03","78.71","0.03","1206.2","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.1852","0.0622","","","0.1257","0.1874","","","","","","0.948","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231964","12.4487","0.0007","14.0216","0.0008","17.0849","0.0009","112.276","0.0014","93.2135","0.0015","105.097","0.0015","2624.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Mo8 N6 Na O32 -","- C30 H45 Mo8 N6 Na O32 -","- C60 H90 Mo16 N12 Na2 O64 -","2","1","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.0998","0.0768","","","0.1602","0.1742","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231969","6.54127","0.00008","12.05549","0.00014","19.2527","0.0002","90","","90","","90","","1518.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","Estradiol Hemihydrate","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0374","0.0372","","","0.1007","0.101","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231974","6.1408","0.0012","14.773","0.003","11.457","0.002","90","","100.56","0.03","90","","1021.8","0.4","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Li2 N8 O8 -","- C2 H8 Li2 N8 O8 -","- C8 H32 Li8 N32 O32 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0307","0.0303","","","0.0762","0.0764","","","","","","1.083","","","","has coordinates,has disorder","223583","2020-10-21","18:00:00",""
"7231975","9.1059","0.0018","11.496","0.002","9.1102","0.0018","90","","110.86","0.03","90","","891.2","0.3","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 N8 O4 Rb2 -","- C2 N8 O4 Rb2 -","- C8 N32 O16 Rb8 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0513","0.0442","","","0.0984","0.1042","","","","","","1.237","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231977","5.3925","0.0011","7.3559","0.0015","7.4275","0.0015","61.64","0.03","87.56","0.03","69.5","0.03","240.09","0.13","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","1","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0398","0.0394","","","0.0966","0.097","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231979","11.7153","0.0005","7.8003","0.0003","23.8533","0.001","90","","96.471","0.001","90","","2165.9","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O9 Pb2 -","- C44 H40 N6 O9 Pb2 -","- C88 H80 N12 O18 Pb4 -","2","0.5","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.078","0.0692","","","0.1892","0.2051","","","","","","1.004","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231981","10.1766","0.0004","18.0574","0.0008","15.0263","0.0006","90","","108.487","0.001","90","","2618.78","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N5 O5 Zn -","- C28 H25 N5 O5 Zn -","- C112 H100 N20 O20 Zn4 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.0624","0.0438","","","0.1085","0.1188","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231982","22.0684","0.0009","17.0982","0.0007","14.8533","0.0006","90","","104.666","0.001","90","","5422","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cd2 N10 O10 -","- C56 H50 Cd2 N10 O10 -","- C224 H200 Cd8 N40 O40 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.069","0.054","","","0.1565","0.1695","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231983","21.6439","0.0009","12.7102","0.0005","22.4458","0.0009","90","","111.555","0.005","90","","5743","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H80 Ge2 O120 W20 Zr4 -","- C4 H4 Ge2 O106 W20 Zr4 -","- C8 H8 Ge4 O212 W40 Zr8 -","2","0.5","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.1312","0.0922","","","0.2202","0.2508","","","","","","1.089","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole–dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231987","8.0284","0.0014","25.322","0.005","11.209","0.002","90","","102.068","0.003","90","","2228.4","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N4 O5 -","- C22 H26 Co N4 O5 -","- C88 H104 Co4 N16 O20 -","4","1","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0726","0.0532","","","0.154","0.1658","","","","","","1.066","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231988","14.6544","0.0017","9.5892","0.0011","18.448","0.002","90","","97.01","0.002","90","","2573","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N6 O14 -","- C48 H46 Co3 N6 O14 -","- C96 H92 Co6 N12 O28 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.045","0.0353","","","0.1016","0.1118","","","","","","1.071","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231989","11.0222","0.0014","15.1754","0.0019","19.331","0.003","90","","100.256","0.004","90","","3181.8","0.8","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt bis(N,N-dimethylformamide)","","- C24 H19 Co1.5 N O7 -","- C24 H19 Co1.5 N O7 -","- C96 H76 Co6 N4 O28 -","4","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0508","0.0395","","","0.0892","0.0937","","","","","","1.033","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00",""
"7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7232009","7.3687","0.0002","16.4706","0.0004","13.862","0.0004","90","","97.054","0.003","90","","1669.65","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C32 H48 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0354","0.0276","","","0.0572","0.0595","","","","","","1.173","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232010","8.4645","0.0004","13.0802","0.0006","13.1574","0.0006","90","","105.702","0.005","90","","1402.39","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0427","0.0313","","","0.0516","0.0545","","","","","","1.016","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232012","9.947","0.0003","11.5017","0.0003","16.4632","0.0005","90","","107.201","0.003","90","","1799.27","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0303","0.022","","","0.0425","0.0446","","","","","","1.024","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232013","7.2611","0.0008","9.0862","0.001","11.1895","0.0009","67.617","0.009","87.457","0.008","72.163","0.01","647.61","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0678","0.0531","","","0.1248","0.1371","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232014","8.6483","0.0004","15.1885","0.0009","13.352","0.0005","90","","98.887","0.004","90","","1732.79","0.15","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br11 N2 Sb -","- C24 H22 Br11 N2 Sb -","- C48 H44 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0446","0.0301","","","0.0551","0.0597","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232015","7.3255","0.0004","20.6666","0.001","16.5665","0.0007","90","","95.627","0.004","90","","2496","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br11 N2 Sb -","- C10 H10 Br11 N2 Sb -","- C40 H40 Br44 N8 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.1342","0.0906","","","0.231","0.2655","","","","","","1.086","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232016","7.2472","0.0003","9.4088","0.0005","11.5541","0.0005","69.263","0.004","81.162","0.004","71.303","0.004","697.2","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0449","0.0338","","","0.0615","0.0662","","","","","","0.991","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232017","8.9834","0.0004","10.2599","0.0005","10.3601","0.0005","94.223","0.004","102.737","0.004","111.846","0.004","851.62","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0469","0.0329","","","0.0539","0.059","","","","","","1.021","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232018","8.18","0.0005","12.9394","0.0008","12.5865","0.0007","90","","105.412","0.007","90","","1284.3","0.14","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br9 I2 N2 Sb -","- C10 H10 Br9 I2 N2 Sb -","- C20 H20 Br18 I4 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0546","0.0407","","","0.0769","0.0829","","","","","","1.017","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00",""
"7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00",""
"7232027","11.557","0.0004","4.03422","0.00016","27.4354","0.0015","90","","95.906","0.004","90","","1272.34","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish","Bromine–bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties","CrystEngComm","2019","21","4","589","","10.1039/C8CE02086H","","x-ray","0.71073","MoKα","","0.0448","0.0393","","","0.0846","0.0866","","","","","","1.27","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232030","7.9313","0.0008","13.313","0.002","11.6544","0.0017","90","","104.509","0.012","90","","1191.3","0.3","295","","295","","0.108","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.815","0.861","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232031","7.7929","0.0005","13.2989","0.0018","11.5902","0.0013","90","","104.082","0.008","90","","1165.1","0.2","295","","295","","0.237","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.299","0.875","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232032","7.592","0.0004","13.2615","0.0014","11.4988","0.0012","90","","103.49","0.008","90","","1125.77","0.18","295","","295","","0.563","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.818","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232033","7.4909","0.0004","13.2386","0.0014","11.4562","0.0011","90","","103.241","0.007","90","","1105.9","0.17","295","","295","","0.767","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.233","0.824","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232034","7.8517","0.0005","13.3034","0.0017","11.6174","0.0011","90","","104.251","0.008","90","","1176.1","0.2","295","","295","","0.171","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.454","0.852","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232035","7.6938","0.0005","13.2818","0.0016","11.5506","0.0012","90","","103.783","0.006","90","","1146.3","0.2","295","","295","","0.382","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.198","0.814","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232036","7.2068","0.0006","13.153","0.002","11.3365","0.0016","90","","102.812","0.011","90","","1047.8","0.2","295","","295","","1.63","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.147","0.834","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232037","7.4126","0.0004","13.2122","0.0015","11.4253","0.0011","90","","103.122","0.008","90","","1089.74","0.18","295","","295","","0.975","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.777","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232038","6.9954","0.0005","13.0631","0.0018","11.2417","0.0013","90","","102.703","0.009","90","","1002.1","0.2","295","","295","","2.628","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.558","1.063","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232039","7.8566","0.0004","13.3005","0.0015","11.6219","0.001","90","","104.253","0.007","90","","1177.07","0.18","295","","295","","0.152","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.331","0.87","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232040","6.8305","0.0005","12.9782","0.0018","11.1656","0.0013","90","","102.712","0.008","90","","965.54","0.19","295","","295","","3.751","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.09","1.04","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232041","6.6919","0.0005","12.9085","0.0017","11.0915","0.0013","90","","102.807","0.009","90","","934.27","0.18","295","","295","","5.01","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","0.968","0.925","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232042","6.9097","0.0005","13.022","0.002","11.1993","0.0015","90","","102.719","0.008","90","","983","0.2","295","","295","","3.186","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.132","0.858","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232043","6.6153","0.0005","12.8677","0.0016","11.0478","0.0012","90","","102.898","0.008","90","","916.7","0.17","295","","295","","5.842","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.105","1.002","","","","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232044","8.011","0.003","13.395","0.003","11.726","0.004","90","","104.759","0.019","90","","1216.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0686","0.0686","","","0.1749","0.1749","","","","","","1.463","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232045","7.765","0.003","13.283","0.003","11.615","0.004","90","","104.14","0.019","90","","1161.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9.009 N3 O2 S -","- C48 H36.036 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0673","0.0673","","","0.1795","0.1795","","","","","","1.498","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232046","7.713","0.002","13.271","0.003","11.611","0.004","90","","104.004","0.019","90","","1153.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0701","0.0701","","","0.1881","0.1881","","","","","","1.549","","","","has coordinates,has disorder","295944","2024-11-15","19:31:16",""
"7232047","7.651","0.002","13.243","0.003","11.624","0.004","90","","104.118","0.019","90","","1142.2","0.6","40","2","166","13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.069","0.069","","","0.1795","0.1795","","","","","","1.448","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232048","7.67","0.002","13.254","0.003","11.618","0.004","90","","104.066","0.018","90","","1145.7","0.6","60","2","60","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","neutron","","whitebeam","","0.0718","0.0718","","","0.1909","0.1909","","","","","","1.551","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232049","11.4105","0.0006","13.539","0.0007","15.3325","0.0008","88.783","0.004","68.821","0.005","68.65","0.005","2040.5","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0616","0.0411","","","0.074","0.0833","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232050","11.3766","0.0007","13.5678","0.0009","15.2994","0.0011","89.045","0.006","68.623","0.007","69.011","0.006","2035.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0695","0.0452","","","0.0758","0.0865","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232051","11.4004","0.001","13.5367","0.0012","15.3073","0.0013","88.899","0.007","68.79","0.008","68.798","0.008","2036.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0647","0.0438","","","0.0791","0.0906","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232053","8.595","0.007","4.645","0.004","22.624","0.018","90","","91.293","0.018","90","","903","1.3","149.61","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.236","0.0936","","","0.1552","0.2091","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232054","13.5266","0.0018","10.2411","0.0014","13.4172","0.0017","90","","116.838","0.004","90","","1658.4","0.4","149.15","","149.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0815","0.0472","","","0.1134","0.136","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232055","6.018","0.0007","7.393","0.0009","9.3115","0.001","77.213","0.007","82.358","0.007","86.071","0.008","400.09","0.08","149.61","","149.61","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C16 H14 N6 O6 -","2","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.1179","0.0583","","","0.1212","0.145","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232056","9.3151","0.0003","4.9197","0.0002","16.7332","0.0006","90","","95.356","0.001","90","","763.49","0.05","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0413","0.0385","","","0.0959","0.0983","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232058","13.073","0.006","4.901","0.002","16.934","0.008","90","","106.837","0.013","90","","1038.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C40 H44 N12 O16 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.149","0.088","","","0.1681","0.1914","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232060","6.1954","0.0013","9.278","0.002","9.776","0.002","90","","91.993","0.006","90","","561.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C12 H4 N28 O4 -","2","0.5","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0652","0.0622","","","0.1858","0.1884","","","","","","1.188","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232061","5.7955","0.0012","9.7961","0.0019","19.767","0.004","90","","92.904","0.007","90","","1120.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C24 H8 N56 O8 -","4","1","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0653","0.0507","","","0.1296","0.1381","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232062","12.452","0.0005","13.7523","0.0006","25.1444","0.0009","91.559","0.001","95.731","0.001","102.126","0.001","4183.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 F18 N16 Ni4 O26 S6 -","- C62 H40 F18 N16 Ni4 O26 S6 -","- C124 H80 F36 N32 Ni8 O52 S12 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0616","0.047","","","0.14","0.1528","","","","","","1.024","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232063","12.3939","0.0006","26.0105","0.0012","26.2478","0.0013","112.794","0.0015","95.4248","0.0017","97.6923","0.0018","7630.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H118 Cl12 N32 Ni8 O69 -","- C112 H80 Cl12 N32 Ni8 O69 -","- C224 H160 Cl24 N64 Ni16 O138 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1088","0.0603","","","0.1418","0.1685","","","","","","1.03","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232064","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N22 Ni4 O36 -","- C112 H80 N44 Ni8 O72 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1257","0.1095","","","0.2901","0.3103","","","","","","1.048","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232065","12.4085","0.0004","23.2955","0.0008","28.0056","0.0009","86.006","0.002","81.19","0.002","83.687","0.002","7939.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl10 N32 Ni8 O62 -","- C120 H104 Cl10.0001 N32 Ni8 O61.9996 -","- C240 H208 Cl20.0002 N64 Ni16 O123.999 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0744","0.0591","","","0.1711","0.1863","","","","","","1.042","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232066","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N16 Ni4 O4 -","- C112 H80 N32 Ni8 O8 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.08","0.0712","","","0.2078","0.2149","","","","","","1.104","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232067","27.5506","0.0015","13.4067","0.0007","22.7853","0.0012","90","","98.378","0.001","90","","8326.2","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C48 H428 Al8 Cu12 Mo48 N48 O286 -","2","0.25","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0399","0.0277","","","0.0575","0.0608","","","","","","1.053","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232068","8.2068","0.0005","21.0385","0.0013","24.5141","0.0015","90","","96.205","0.001","90","","4207.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Cr Cu Mo6 N12 O31 -","- C12 H34 Cr Cu Mo6 N12 O31 -","- C48 H136 Cr4 Cu4 Mo24 N48 O124 -","4","1","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0864","0.044","","","0.0818","0.096","","","","","","0.988","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232069","11.5188","0.0005","5.9468","0.0003","21.01","0.001","90","","99.854","0.001","90","","1417.95","0.12","296","2","296.15","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C14 H40 Cr2 Cu4 K2 Mo12 N12 O52 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0292","0.0249","","","0.0615","0.0631","","","","","","1.085","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232070","27.6717","0.0016","13.4767","0.0008","22.8522","0.0013","90","","98.44","0.001","90","","8429.8","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C48 H428 Cr8 Cu12 Mo48 N48 O286 -","4","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0599","0.0358","","","0.0754","0.0838","","","","","","0.979","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232071","16.1041","0.0011","11.6957","0.0008","27.93","0.002","90","","95.28","0.002","90","","5238.3","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C28 H196 Cd6 Cr6 Mo36 N24 O204 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1186","0.0734","","","0.2085","0.2391","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232072","6.4672","0.0016","10.482","0.003","13.154","0.003","87.291","0.003","85.271","0.005","84.015","0.005","883.1","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1103","0.0512","","","0.112","0.1289","","","","","","0.959","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232073","6.4711","0.0003","15.2046","0.0006","16.6977","0.0007","96.961","0.001","99.683","0.001","98.53","0.001","1583.48","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0218","0.0195","","","0.0464","0.0474","","","","","","1.11","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232074","7.5577","0.0004","9.998","0.0005","12.26","0.0006","75.432","0.001","79.59","0.001","69.491","0.001","835.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O6 -","- C14 H11 Cd N O6 -","- C28 H22 Cd2 N2 O12 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0244","0.0217","","","0.0652","0.0663","","","","","","1.078","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232075","8.1208","0.0016","10.241","0.002","12.376","0.003","106.79","0.03","99.48","0.03","104.1","0.03","924.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cd N2 O7 -","- C19 H15 Cd N2 O7 -","- C38 H30 Cd2 N4 O14 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0688","0.0497","","","0.098","0.1058","","","","","","1.033","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232076","7.6825","0.0004","10.0737","0.0004","13.2714","0.0006","70.544","0.001","89.008","0.002","74.231","0.002","928.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N O9 -","- C18 H16 Cd N O9 -","- C36 H32 Cd2 N2 O18 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.1312","0.0618","","","0.0849","0.0996","","","","","","1.013","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232077","5.6109","0.0006","14.914","0.0018","20.848","0.003","90","","96.566","0.006","90","","1733.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N6 O5 -","- C15 H14 F2 N6 O5 -","- C60 H56 F8 N24 O20 -","4","1","","Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L.","Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form","CrystEngComm","2019","21","7","1114","","10.1039/C8CE01729H","","","0.71073","MoKα","","0.1326","0.0551","","","0.128","0.1581","","","","","","1.047","","","","has coordinates,has disorder","223653","2020-10-21","18:00:00",""
"7232078","17.96","0.004","12.903","0.002","24.414","0.004","90","","127.047","0.011","90","","4515.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd3 N6 O17 -","- C48 H38 Cd3 N6 O17 -","- C192 H152 Cd12 N24 O68 -","4","1","","Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties","CrystEngComm","2019","21","7","1159","","10.1039/C8CE02060D","","","0.71073","MoKα","","0.0883","0.0453","","","0.0893","0.1056","","","","","","1.012","","","","has coordinates","223655","2020-10-21","18:00:00",""
"7232079","4.4913","0.0009","10.893","0.002","12.672","0.003","106.87","0.03","99.66","0.03","92.3","0.03","582.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 N4 O8 P -","- C6 H9 N4 O8 P -","- C12 H18 N8 O16 P2 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.033","0.0298","","","0.0789","0.0812","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232081","7.9863","0.0016","14.566","0.003","16.208","0.003","77.88","0.03","80.9","0.03","87.87","0.03","1820.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N16 O21 -","- C24 H27 Cl N16 O21 -","- C48 H54 Cl2 N32 O42 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0987","0.0527","","","0.1198","0.1408","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232082","13.4449","0.0014","7.8221","0.0009","7.8587","0.0009","90","","103.134","0.003","90","","804.86","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0423","0.0333","","","0.0826","0.0892","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232083","15.801","0.003","12.931","0.003","24.475","0.005","90","","90.04","0.03","90","","5000.8","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C144 H192 N64 O96 -","16","4","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone – when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0941","0.0473","","","0.1037","0.1264","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232084","6.5991","0.0006","10.8137","0.001","15.2509","0.0012","84.753","0.003","81.706","0.003","74.843","0.003","1037.82","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N20 O11 Pb2 -","- C4 H14 N20 O11 Pb2 -","- C8 H28 N40 O22 Pb4 -","2","1","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.1061","0.0543","","","0.0853","0.0974","","","","","","1.03","","","","has coordinates,has disorder","223597","2020-10-21","18:00:00",""
"7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00",""
"7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232087","12.4248","0.0005","22.9673","0.0007","9.8566","0.0004","90","","112.446","0.005","90","","2599.63","0.19","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(tert-butyl)-2-methyl-2H-naphtho[1,8-bc]furan-2-ol","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0832","0.0611","","","0.1344","0.145","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232088","8.2578","0.0004","10.5748","0.0005","23.1819","0.0012","99.596","0.004","91.72","0.004","104.122","0.004","1930.4","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylguanidinium 8-benzoylnaphth-1-oate","","- C22 H25.1 N3 O2.05 -","- C22 H25.1 N3 O2.05 -","- C88 H100.4 N12 O8.2 -","4","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0952","0.067","","","0.1155","0.1258","","","","","","1.128","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232091","15.1117","0.0006","15.6707","0.0007","16.4672","0.0007","80.552","0.004","69.591","0.004","61.179","0.004","3202.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","bis(dimethylamino)methaniminium 8-acetylnaphthalen-1-olate","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C136 H184 N24 O16 -","8","4","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0885","0.0555","","","0.1127","0.1289","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232092","27.588","0.004","8.2227","0.0004","19.874","0.003","90","","132.66","0.03","90","","3315.4","1.8","149.97","0.12","149.97","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)pyridine 1-(8'-hydroxynaphthalen-1'-yl)ethanonemolecular complex","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1238","0.0722","","","0.1293","0.1505","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232093","10.1265","0.0011","25.804","0.003","7.9261","0.0007","90","","105.497","0.01","90","","1995.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1251","0.0691","","","0.1188","0.1373","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232094","10.8607","0.0007","8.0882","0.0005","15.3629","0.0009","90","","100.51","0.005","90","","1326.89","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0695","0.0553","","","0.1163","0.1235","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232095","9.9169","0.0005","7.4879","0.0002","15.8768","0.0006","90","","108.096","0.005","90","","1120.65","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0729","0.0527","","","0.1017","0.1102","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232096","8.4313","0.0005","26.5593","0.0011","9.5945","0.0005","90","","114.586","0.007","90","","1953.7","0.2","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino) pyridine 1-(8'-hydroxynaphthalen-1'-yl)-2-methylbutan-1-onemolecular complex","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1105","0.0738","","","0.1639","0.1822","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232097","7.3963","0.0003","14.2452","0.0004","13.5274","0.0005","90","","105.187","0.004","90","","1375.49","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0752","0.0573","","","0.1123","0.1198","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232098","6.9441","0.0004","8.8146","0.0004","14.8418","0.0008","77.773","0.004","78.744","0.004","76.371","0.004","852.7","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0936","0.069","","","0.1395","0.1519","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232099","13.4588","0.0005","9.4421","0.0003","20.9855","0.0009","90","","95.122","0.004","90","","2656.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-(2'H-naphtho[1,8-bc]furan-2'yl)cyclohex-2-en-1-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1099","0.0763","","","0.1853","0.2046","","","","","","1.198","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232101","10.007","0.0005","13.2653","0.0007","15.0577","0.0008","80.234","0.002","71.193","0.002","70.137","0.002","1775.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N4 O6 -","- C39 H43 Cl2 N4 O6 -","- C78 H86 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0782","0.0647","","","0.1758","0.1855","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232102","9.9312","0.0005","13.0381","0.0007","14.9669","0.0008","78.504","0.002","71.545","0.002","71.592","0.002","1733.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Cl2 N4 O6 -","- C37.5 H40 Cl2 N4 O6 -","- C75 H80 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0765","0.0563","","","0.1497","0.1629","","","","","","1.044","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232103","19.602","0.0017","10.4596","0.0009","15.8952","0.0014","90","","107.358","0.002","90","","3110.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.054","0.0527","","","0.1516","0.1531","","","","","","1.042","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232104","9.9249","0.0009","13.0873","0.0012","15.1023","0.0014","78.486","0.003","71.671","0.003","71.466","0.003","1754.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0745","0.0625","","","0.1745","0.1851","","","","","","1.064","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232105","9.9494","0.0007","13.0577","0.001","15.047","0.0011","78.907","0.002","71.437","0.002","70.82","0.002","1741.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cl2 N4 O6 -","- C38 H41 Cl2 N4 O6 -","- C76 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0548","0.0479","","","0.1294","0.1344","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232106","9.9163","0.0005","13.1401","0.0007","14.9925","0.0008","78.987","0.002","71.536","0.002","71.106","0.002","1744.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0644","0.0475","","","0.1214","0.1308","","","","","","1.041","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232107","9.9369","0.0005","13.0256","0.0007","14.9773","0.0008","78.67","0.003","71.719","0.003","71.595","0.003","1736.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H41 Cl2 N4 O6 -","- C37.5 H41 Cl2 N4 O6 -","- C75 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.1637","0.089","","","0.2211","0.2603","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232108","3.9611","0.0002","13.3377","0.0005","14.48","0.0005","90","","97.848","0.002","90","","757.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorobenzonitrile oxide","2,6-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","1.54178","CuKα","","0.0396","0.0368","","","0.0944","0.0969","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232109","25.671","0.015","3.903","0.002","14.123","0.008","90","","106.068","0.006","90","","1359.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromobenzonitrile oxide","3-bromobenzonitrile-N-oxide","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C56 H32 Br8 N8 O8 -","8","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0693","0.0434","","","0.0989","0.1102","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232110","3.7857","0.001","12.616","0.003","15.632","0.004","90","","93.847","0.004","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzonitrile oxide","2,3-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0277","0.0254","","","0.0595","0.0605","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232112","6.9929","0.0002","9.6745","0.0003","10.9094","0.0003","97.057","0.002","97.633","0.002","96.111","0.002","720.29","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N2 -","- C18 H15 N2 -","- C36 H30 N4 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0629","0.0585","","","0.1601","0.1667","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232113","6.9689","0.0002","10.7206","0.0003","18.531","0.0004","97.772","0.002","100.438","0.002","107.389","0.003","1272.6","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0856","0.0726","","","0.1471","0.1524","","","","","","0.996","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232115","7.9686","0.0006","8.6786","0.0006","11.2515","0.0008","95.505","0.006","106.522","0.006","113.65","0.007","663.5","0.1","277.3","0.1","277.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 La O9.5 -","- C9 H13 La O9.5 -","- C18 H26 La2 O19 -","2","1","","Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis","2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions","CrystEngComm","2019","21","7","1137","","10.1039/C8CE01983E","","","0.71073","MoKα","","0.042","0.0329","","","0.0475","0.0506","","","","","","1.01","","","","has coordinates","223657","2020-10-21","18:00:00",""
"7232116","9.5953","0.0005","10.9758","0.0003","15.4396","0.0006","101.8","0.003","102.572","0.004","93.998","0.003","1542.37","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4-Iodobenzoate-tin-tetraiodoporphrin","","","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0817","0.061","","","0.1766","0.1995","","","","","","1.027","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232117","11.6409","0.0005","12.3154","0.0006","13.1057","0.0004","98.307","0.003","104.865","0.003","117.3","0.004","1536.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Nitrobenzoate-tin-tetraiodoporphrin","","","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0861","0.06","","","0.1786","0.2051","","","","","","1.087","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232118","11.2861","0.0004","11.7958","0.0003","13.3288","0.0003","103.991","0.002","95.327","0.002","111","0.002","1575.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Nitrobenzoate-tin-tetraiodoporphrin","","","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0461","0.0363","","","0.0797","0.0839","","","","","","1.093","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232119","8.0433","0.0004","12.3567","0.0006","15.1084","0.0009","69.576","0.005","85.741","0.004","87.539","0.004","1403.09","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Iodobenzoate-tin-tetraiodoporphrin","","","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0584","0.0465","","","0.1269","0.1358","","","","","","1.084","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232120","8.8373","0.0005","10.7391","0.0006","14.9694","0.0009","98.367","0.005","101.545","0.005","96.724","0.004","1361.35","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dichloromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0864","0.0588","","","0.1507","0.1655","","","","","","1.021","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232121","8.8374","0.0007","10.7088","0.0006","15.0404","0.0011","98.727","0.005","101.652","0.006","96.887","0.006","1361.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dibromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.1335","0.0699","","","0.1521","0.1709","","","","","","1.037","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232122","9.64","0.0005","10.8143","0.0006","15.1088","0.0007","100.646","0.004","102.72","0.004","93.71","0.004","1500.84","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Bromobenzoate-tin-tetraiodoporphrin","","","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.091","0.0599","","","0.1662","0.1831","","","","","","1.076","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232123","14.2058","0.0003","17.3651","0.0005","11.8806","0.0003","90","","97.847","0.002","90","","2903.32","0.13","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,5-Difluoromobenzoate-tin-tetraiodoporphrin","","","- C60 H36 F4 I4 N4 O5 S Sn -","- C60 H36 F4 I4 N4 O5 S Sn -","- C120 H72 F8 I8 N8 O10 S2 Sn2 -","2","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0699","0.0542","","","0.1647","0.1756","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232125","7.5641","0.0012","8.3619","0.0012","17.5","0.003","94.126","0.008","96.466","0.008","106.153","0.007","1050.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethyne","","","- C22 H12 I2 N2 -","- C22 H12 I2 N2 -","- C44 H24 I4 N4 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0557","0.0339","","","0.0847","0.0958","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232126","12.8031","0.0015","9.5117","0.0013","17.856","0.003","90","","107.973","0.008","90","","2068.4","0.5","298","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene","","","- C22 H14 I2 N2 -","- C22 H14 I2 N2 -","- C88 H56 I8 N8 -","4","0.5","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.2029","0.0862","","","0.188","0.2472","","","","","","0.971","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232129","7.988","0.0006","5.7019","0.0005","11.3808","0.0008","90","","97.745","0.007","90","","513.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Co H14 N4 O2 -","- Cl4 Co H14 N4 O2 -","- Cl8 Co2 H28 N8 O4 -","2","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0429","0.0311","","","0.0548","0.0602","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232130","7.5839","0.0003","9.1752","0.0004","15.0656","0.0006","89.821","0.004","84.447","0.003","75.697","0.004","1010.82","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0795","0.0818","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232131","8.9779","0.0004","10.9705","0.0004","11.7726","0.0005","90","","94.423","0.004","90","","1156.05","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl5 H15 Mn N6 -","- Cl5 H15 Mn N6 -","- Cl20 H60 Mn4 N24 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0403","0.0323","","","0.0757","0.0801","","","","","","1.044","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232132","5.5411","0.0001","13.9707","0.0003","9.963","0.0003","90","","92.648","0.002","90","","770.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H9 Mn N2 O2 -","- Cl3 H9 Mn N2 O2 -","- Cl12 H36 Mn4 N8 O8 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0297","0.027","","","0.066","0.0688","","","","","","1.065","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232133","3.7868","0.0006","5.6827","0.0009","8.7079","0.0011","99.853","0.012","98.563","0.012","91.568","0.013","182.3","0.05","150","0.4","150","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0331","0.0314","","","0.0806","0.0844","","","","","","1.096","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232154","4.3229","0.0014","13.047","0.004","29.586","0.009","90.19","0.008","91.77","0.008","95.024","0.008","1661.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.2 H3.8 I2 N2.6 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1134","0.0976","","","0.1899","0.1958","","","","","","1.207","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232155","4.2425","0.0006","23.537","0.004","24.567","0.004","111.725","0.005","94.131","0.005","93.861","0.005","2261.3","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I2 N3 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1182","0.1002","","","0.2535","0.269","","","","","","1.045","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232156","13.9441","0.0006","35.2209","0.0015","8.2173","0.0003","90","","90.331","0.001","90","","4035.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H0 I2 N2 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0401","0.0354","","","0.083","0.0856","","","","","","1.107","","","","has coordinates,has disorder","223654","2020-10-21","18:00:00",""
"7232157","4.338","0.001","18.327","0.004","18.018","0.004","90","","91.705","0.007","90","","1431.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Cl3 I2 N2 -","- C9 H3 Cl3 I2 N2 -","- C36 H12 Cl12 I8 N8 -","4","1","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1155","0.1024","","","0.2611","0.2683","","","","","","1.294","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232169","12.5982","0.0013","13.295","0.003","13.5974","0.0012","114.779","0.015","99.377","0.009","100.412","0.012","1959.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","1","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1233","0.0632","","","0.0968","0.1329","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232170","27.133","0.002","12.3372","0.0011","15.5056","0.0012","90","","123.224","0.007","90","","4342","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C39 H61.5 Mo12 N6 Na3.5 O66 P8 -","- C26 H33 Mo12 N4 Na3.5 O64 P8 -","- C52 H66 Mo24 N8 Na7 O128 P16 -","2","0.25","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0709","0.0565","","","0.137","0.1506","","","","","","1.049","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232172","13.3983","0.0001","13.3983","0.0001","38.3301","0.0008","90","","90","","90","","6880.81","0.16","295","2","295","2","","","","","","","","8","P 43 2 2","P 4cw 2c","95","","","","- C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C12 H156 Mn10 Mo48 N22 Na18 O290 P32 -","4","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0304","0.0283","","","0.0741","0.0751","","","","","","1.056","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232173","16.333","0.002","21.724","0.003","21.913","0.003","90","","92.836","0.002","90","","7765.6","1.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H80 Mn2 Mo12 N7 Na O68 P8 -","- H14 Mn2 Mo12 Na O63 P8 -","- H56 Mn8 Mo48 Na4 O252 P32 -","4","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0411","0.0298","","","0.0589","0.0623","","","","","","1.02","","","","has coordinates","223596","2020-10-21","18:00:00",""
"7232174","13.262","0.003","13.36","0.003","22.492","0.005","99.302","0.003","90.283","0.003","103.365","0.003","3822.5","1.5","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C13 H40 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C26 H80 Cu0.5 Mo24 N13 Na9.5 O140 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1819","0.0743","","","0.1256","0.1577","","","","","","1.034","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232188","10.1313","0.0017","10.1313","0.0017","10.1351","0.0017","90","","90","","120","","900.9","0.3","300","","300","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H2 Br2 Cl4 -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.7596","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232189","10.14","0.003","31.233","0.009","10.122","0.003","90","","90.21","0.02","90","","3205.6","1.6","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H Br Cl2 -","- C61 H Br Cl2 -","- C244 H4 Br4 Cl8 -","4","0.5","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232190","15.071","0.003","17.319","0.004","18.468","0.004","90","","96.99","0.03","90","","4784.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N14 -","- C56 H42 Cu2 N14 -","- C224 H168 Cu8 N56 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0872","0.0458","","","0.1051","0.1265","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232191","11.089","0.007","8.79","0.005","15.236","0.009","90","","102.882","0.011","90","","1447.7","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N3 -","- C7 H5 Cu N3 -","- C56 H40 Cu8 N24 -","8","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0381","0.0291","","","0.0761","0.0802","","","","","","1.064","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232192","8.8138","0.0018","15.406","0.003","12.203","0.002","90","","94.92","0.03","90","","1650.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.039","0.0295","","","0.0754","0.08","","","","","","1.06","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232193","8.0872","0.0005","10.2331","0.0006","23.4179","0.0013","88.45","0.001","80.956","0.001","86.568","0.001","1910.17","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cu3 N16 -","- C34 H42 Cu3 N16 -","- C68 H84 Cu6 N32 -","2","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0766","0.0447","","","0.097","0.1096","","","","","","1.012","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232202","10.672","0.003","10.887","0.003","25.613","0.002","94.871","0.012","97.871","0.011","94.413","0.015","2925.3","1.2","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C84 H88 Ba2 Cl16 Fe4 O12 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.134","0.0763","","","0.1412","0.1668","","","","","","1.115","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232203","7.5364","0.0007","9.164","0.0009","24.2084","0.0018","90","","91.334","0.004","90","","1671.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NG18_LT","","","- C14 H14 Fe K O S4 -","- C14 H14 Fe K O S4 -","- C56 H56 Fe4 K4 O4 S16 -","4","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.0329","0.0291","","","0.0629","0.0643","","","","","","1.043","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232204","10.9301","0.0005","13.295","0.0008","14.7803","0.0008","63.606","0.002","76.591","0.002","69.262","0.002","1792.14","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","","","0.0487","0.0345","","","0.1033","0.1262","","","","","","1.07","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232205","12.7382","0.0014","13.0035","0.0011","21.73","0.004","86.715","0.012","89.542","0.012","63.187","0.012","3206.5","0.8","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C90 H112 Ca2 Cl16 Fe4 O20 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1119","0.0656","","","0.1477","0.1779","","","","","","1.084","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232206","10.6545","0.0003","11.3055","0.0003","14.3597","0.0004","93.025","0.002","111.05","0.002","98.246","0.002","1587.36","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.0829","0.0631","","","0.2013","0.2165","","","","","","1.096","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232207","13.7557","0.0004","13.7884","0.0004","14.2273","0.0004","94.417","0.002","112.471","0.001","105.827","0.001","2348.67","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","DH194_transp_200K","","","- C34 H37 Cl7 K O6 S6 Zn3 -","- C34 H37 Cl7 K O6 S6 Zn3 -","- C68 H74 Cl14 K2 O12 S12 Zn6 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.104","0.0528","","","0.1436","0.1798","","","","","","1.08","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232208","9.968","0.0012","13.477","0.001","14.244","0.0009","108.073","0.006","109.857","0.007","93.674","0.008","1679.9","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1039","0.0548","","","0.0991","0.1153","","","","","","1.071","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232209","8.3674","0.0003","9.8399","0.0005","10.6622","0.0005","93.296","0.004","93.021","0.004","101.21","0.004","857.86","0.07","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O Se -","- C20 H19 N3 O Se -","- C40 H38 N6 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0377","0.0293","","","0.0683","0.0721","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232210","10.1249","0.0002","15.9246","0.0003","11.466","0.0002","90","","106.572","0.002","90","","1771.93","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O Se -","- C20 H23 N3 O Se -","- C80 H92 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0308","0.0258","","","0.0626","0.0657","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232211","10.161","0.0002","16.0506","0.0003","11.43","0.0002","90","","104.622","0.002","90","","1803.75","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O Se -","- C21 H24 N2 O Se -","- C84 H96 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0378","0.0329","","","0.0819","0.0849","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232214","20.7476","0.0009","4.9407","0.0002","17.6687","0.0007","90","","107.376","0.004","90","","1728.53","0.13","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O Se -","- C19 H13 N3 O Se -","- C76 H52 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0422","0.0346","","","0.0908","0.0955","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232215","9.6002","0.0004","10.2109","0.0004","19.838","0.0007","78.71","0.003","84.901","0.003","77.458","0.004","1859.33","0.13","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C84 H84 N12 O4 Se4 -","4","2","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0903","0.0448","","","0.0903","0.112","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232216","8.8093","0.0002","10.7445","0.0002","10.9812","0.0002","111.687","0.002","109.283","0.002","96.631","0.002","877.57","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O Se -","- C21 H18 N4 O Se -","- C42 H36 N8 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0567","0.0358","","","0.0823","0.0872","","","","","","1.07","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232217","9.6254","0.0002","10.2486","0.0002","10.6505","0.0002","83.66","0.002","76.398","0.002","78.423","0.002","998.19","0.04","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N3 O2 Se -","- C21 H23 N3 O2 Se -","- C42 H46 N6 O4 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.116","0.0456","","","0.1004","0.1219","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232225","7.2451","0.001","7.8674","0.001","16.65","0.002","87.647","0.009","86.278","0.009","83.882","0.009","941.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","2","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.073","0.076","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232226","7.7319","0.0005","9.613","0.0007","13.2774","0.0009","90","","96.761","0.002","90","","980","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0574","0.0585","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232227","7.953","0.007","9.744","0.008","13.366","0.011","90","","97.174","0.01","90","","1027.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,4-Dibromo-2-oxo-2,5-dihydrofuran-5-ylsulfonyl)ethanoic acid","","- C6 H4 Br2 O6 S -","- C6 H4 Br2 O6 S -","- C24 H16 Br8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0432","0.0307","","","0.0659","0.0704","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232228","15.0421","0.0005","11.2751","0.0004","15.5078","0.0005","90","","104.491","0.002","90","","2546.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0524","0.0369","","","0.0954","0.1035","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232229","23.606","0.002","8.1378","0.0008","14.5476","0.0014","90","","115.51","0.007","90","","2522.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0731","0.0505","","","0.0991","0.1091","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232231","6.5101","0.0011","9.753","0.0016","10.3547","0.0019","81.848","0.012","72.076","0.013","81.359","0.013","615.24","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C20 H24 N8 O4 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0625","0.0428","","","0.1059","0.1161","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232232","6.5899","0.0013","15.349","0.003","15.887","0.003","102.55","0.03","92.36","0.03","92.73","0.03","1564.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C30 H42 N4 O7 S -","- C30 H42 N4 O7 S -","- C60 H84 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.083","0.0516","","","0.1076","0.1237","","","","","","0.977","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232233","6.5593","0.0013","16.171","0.003","16.454","0.003","74.56","0.03","89.11","0.03","86.78","0.03","1679.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C33 H48 N4 O7 S -","- C33 H48 N4 O7 S -","- C66 H96 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1237","0.0835","","","0.1953","0.2132","","","","","","0.94","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232234","6.5017","0.0013","16.269","0.003","16.495","0.003","105.54","0.03","90.98","0.03","93.01","0.03","1677.8","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C32 H46 N4 O7 S -","- C32 H46 N4 O7 S -","- C64 H92 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1093","0.0694","","","0.1415","0.1617","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232235","6.3818","0.0001","11.7984","0.0002","22.1415","0.0003","88.772","0.001","84.416","0.001","78.101","0.001","1623.58","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C31 H44 N4 O7 S -","- C31 H44 N4 O7 S -","- C62 H88 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","x-ray","1.54184","CuKα","","0.0504","0.0468","","","0.1272","0.1302","","","","","","1.063","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232236","13.1788","0.0009","21.4947","0.0016","22.2362","0.0018","90","","106.952","0.002","90","","6025.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetramesityl-2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinato zinc(II)","","- C76 H71 N7 Zn -","- C76 H71 N7 Zn -","- C304 H284 N28 Zn4 -","4","1","","Abdulaeva, Inna A.; Birin, Kirill P.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Lyssenko, Konstantin A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Bessmertnykh-Lemeune, Alla","Imidazoporphyrins as supramolecular tectons: synthesis and self-assembly of zinc 2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinate","CrystEngComm","2019","21","9","1488","","10.1039/C8CE01992D","","","0.71073","MoKα","","0.1195","0.0599","","","0.1342","0.1594","","","","","","1.015","","","","has coordinates","223660","2020-10-21","18:00:00",""
"7232237","14.259","0.002","13.0995","0.0013","10.2027","0.0014","90","","123.36","0.02","90","","1591.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B12 H2 Li2 Na2 O21 -","- B12 H2 Li2 Na2 O21 -","- B48 H8 Li8 Na8 O84 -","4","0.5","","Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu","Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units","CrystEngComm","2019","21","8","1262","","10.1039/C8CE02175A","","","0.71073","MoKα","","0.0389","0.0298","","","0.0765","0.0805","","","","","","1.047","","","","has coordinates","223523","2020-10-21","18:00:00",""
"7232241","10.1382","0.0011","12.7716","0.0014","13.5128","0.0014","79.967","0.002","89.142","0.002","76.356","0.002","1673.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N10 O7 -","- C32 H21 N10 O7 -","- C64 H42 N20 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.0889","0.0719","","","0.2069","0.2265","","","","","","1.086","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232242","11.9851","0.0017","12.2632","0.0017","13.7369","0.0019","94.016","0.002","112.728","0.002","103.896","0.002","1777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N9 O8 S -","- C33 H21 N9 O8 S -","- C66 H42 N18 O16 S2 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1055","0.0889","","","0.2548","0.2729","","","","","","1.057","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232243","7.4872","0.0006","12.4001","0.001","17.0797","0.0013","109.166","0.002","99.619","0.002","93.273","0.002","1466.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N9 O7 -","- C27 H21 N9 O7 -","- C54 H42 N18 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1057","0.0654","","","0.1759","0.2061","","","","","","1.033","","","","has coordinates,has disorder","223723","2020-10-21","18:00:00",""
"7232244","13.729","0.007","11.895","0.006","16.192","0.008","90","","101.35","0.01","90","","2593","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 Cd N2 O6 -","- C26 H24 Br2 Cd N2 O6 -","- C104 H96 Br8 Cd4 N8 O24 -","4","1","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0824","0.0689","","","0.2138","0.2257","","","","","","1.043","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232245","21.974","0.006","10.015","0.002","13.444","0.004","90","","115.916","0.008","90","","2661.1","1.2","287","2","287","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","0.5","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0755","0.056","","","0.1294","0.1421","","","","","","1.15","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232246","11.974","0.002","14.046","0.003","15.893","0.003","90","","99.78","0.03","90","","2634.1","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se8 Sn3 -","- C6 H24 Mn N6 Se8 Sn3 -","- C24 H96 Mn4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0432","0.0304","","","0.0795","0.0809","","","","","","1.027","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232247","11.949","0.002","14.06","0.003","15.794","0.003","90","","100.39","0.03","90","","2609.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N6 Se8 Sn3 Zn -","- C6 H24 N6 Se8 Sn3 Zn -","- C24 H96 N24 Se32 Sn12 Zn4 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0538","0.0374","","","0.0781","0.0907","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232248","11.95","0.002","14.083","0.003","17.995","0.006","90","","120.25","0.02","90","","2616","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Fe N6 Se8 Sn3 -","- C6 H24 Fe N6 Se8 Sn3 -","- C24 H96 Fe4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0618","0.048","","","0.0862","0.1094","","","","","","1.111","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232249","10.104","0.002","12.048","0.002","12.107","0.002","89.524","0.014","75.445","0.017","75.777","0.017","1380.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Ni Se12 Sn -","- C6 H24 N6 Ni Se12 Sn -","- C12 H48 N12 Ni2 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0628","0.0471","","","0.0732","0.0929","","","","","","1.002","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232251","10.222","0.002","12.175","0.002","12.394","0.003","89.37","0.03","74.97","0.03","75.66","0.03","1440.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Mn N6 Se12 Sn -","- C6 H24 Mn N6 Se12 Sn -","- C12 H48 Mn2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0549","0.0411","","","0.0884","0.0921","","","","","","1.106","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232252","10.223","0.002","12.106","0.002","12.263","0.003","89.4","0.03","89.4","0.03","75.45","0.03","1468.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Fe N6 Se12 Sn -","- C6 H12 Fe N6 Se12 Sn -","- C12 H24 Fe2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.063","0.0541","","","0.0854","0.1093","","","","","","1.013","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232253","10.156","0.002","12.096","0.002","12.109","0.002","89.64","0.03","75.49","0.03","75.87","0.03","1394.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Se12 Sn Zn -","- C6 H24 N6 Se12 Sn Zn -","- C12 H48 N12 Se24 Sn2 Zn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0612","0.0497","","","0.0964","0.1106","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232272","7.8816","0.0008","10.022","0.001","10.4165","0.0011","106.091","0.004","94.967","0.005","100.946","0.004","767.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-1-(4-methylphenyl)-3-(2-nitrophenyl)-propan-1-one","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0644","0.0488","","","0.1291","0.1403","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232273","7.746","0.002","7.881","0.002","12.467","0.004","92.37","0.004","103.44","0.004","94.136","0.004","737","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C30 H24 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1129","0.1188","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232274","7.8","0.004","15.919","0.008","10.373","0.005","90","","98.416","0.006","90","","1274.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-3-(2-nitrophenyl)-1-phenyl-2,3-epoxypropan-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0654","0.0404","","","0.0916","0.1047","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232275","14.847","0.011","7.932","0.006","14.919","0.011","90","","118.211","0.009","90","","1548","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,3RS)-2-bromo-1-(4-chlorophenyl)-3-hydroxy-3-(2-nitrophenyl)-propan-1-one","","- C15 H11 Br Cl N O4 -","- C15 H11 Br Cl N O4 -","- C60 H44 Br4 Cl4 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0833","0.0551","","","0.1344","0.1496","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds – the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232305","12.036","0.007","12.533","0.007","14.01","0.013","109.014","0.01","97.412","0.01","118.495","0.007","1650","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N2 O5 -","- C31 H22 F6 N2 O5 -","- C62 H44 F12 N4 O10 -","2","1","","Zhang, He; Gao, Xue-Wang; Wang, Li; Zhao, Xinsheng; Li, Qiu-Yan; Wang, Xiao-Jun","Microwave-assisted synthesis of urea-containing zirconium metal–organic frameworks for heterogeneous catalysis of Henry reactions","CrystEngComm","2019","21","9","1358","","10.1039/C8CE02153H","","","0.71073","MoKα","","0.1343","0.0689","","","0.1676","0.1884","","","","","","0.941","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232309","14.7342","0.0005","12.3434","0.0004","25.1181","0.0009","90","","103.275","0.001","90","","4446.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co5 N10 O28 -","- C90 H92 Co5 N10 O28 -","- C180 H184 Co10 N20 O56 -","2","0.5","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0538","0.0357","","","0.0856","0.0941","","","","","","1.026","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232311","10.8175","0.0005","13.0914","0.0006","22.9369","0.001","96.939","0.002","99.947","0.002","100.57","0.002","3105.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Co2 N6 O8 -","- C60 H44 Co2 N6 O8 -","- C120 H88 Co4 N12 O16 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0984","0.0556","","","0.147","0.1647","","","","","","1.032","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232321","5.0637","0.0004","4.9677","0.0004","29.092","0.002","90","","94.332","0.002","90","","729.72","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","0.5","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0413","0.0369","","","0.0984","0.1021","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232322","4.9806","0.0004","11.5051","0.0008","14.8528","0.0012","68.367","0.005","80.383","0.004","78.374","0.004","770.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","1","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0843","0.0501","","","0.1071","0.1217","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232330","7.2766","0.0003","7.3862","0.0003","14.2883","0.0005","99.348","0.003","103.715","0.004","90.271","0.003","735.39","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-iodoaniline 3,5-dinitrobenzoic acid","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C26 H20 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0633","0.046","","","0.1018","0.1099","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232332","7.1802","0.0004","7.242","0.0004","14.7292","0.0006","87.048","0.004","88.078","0.004","89.926","0.005","764.46","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","4-bromo-2-methylaniline 3,5-dinitrobenzoic acid","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0766","0.049","","","0.0926","0.1058","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232334","7.3332","0.001","13.937","0.002","15.611","0.002","65.133","0.005","82.758","0.006","83.33","0.006","1432.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-bromoaniline 3,5-dinitrobenzoic acid","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C52 H40 Br4 N12 O24 -","4","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71075","MoKα","","0.0403","0.0324","","","0.0839","0.0879","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232348","8.1083","0.0005","10.3884","0.0006","11.943","0.0008","108.394","0.0019","95.407","0.002","108.653","0.0014","882.88","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","1","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","","0.0338","","","","0.0826","","","","","","1.094","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232349","23.2726","0.0012","9.8774","0.0004","15.2044","0.0007","90","","112.301","0.0015","90","","3233.6","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu2 N12 O4 -","- C36 H24 Cu2 N12 O4 -","- C144 H96 Cu8 N48 O16 -","4","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0286","0.0262","","","0.0666","0.068","","","","","","1.083","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232350","10.989","0.003","28.1","0.006","11.059","0.003","90","","109.434","0.002","90","","3220.4","1.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cu4 N28 O4 -","- C72 H36 Cu4 N28 O4 -","- C144 H72 Cu8 N56 O8 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0429","0.0367","","","0.0892","0.093","","","","","","1.072","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232351","4.4893","0.0002","15.5665","0.0005","24.4653","0.0009","90","","92.894","0.002","90","","1707.52","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[c]cinnoline + 1,4-Tetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0497","0.0429","","","0.1074","0.1107","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232352","11.57","0.0004","11.6762","0.0004","11.7522","0.0004","70.484","0.002","63.812","0.002","73.849","0.002","1326.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","","- C31 H20 F4 I2 N2 -","- C31 H20 F4 I2 N2 -","- C62 H40 F8 I4 N4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0453","0.0337","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232353","8.0795","0.0005","11.2522","0.0006","15.1999","0.0009","78.399","0.002","81.52","0.003","69.72","0.003","1265.16","0.13","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","1","0.5","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.066","0.0537","","","0.1273","0.1344","","","","","","1.091","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232354","13.9639","0.0005","9.2151","0.0003","28.0322","0.0009","90","","98.66","0.001","90","","3566","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","","- C46 H30 F4 I2 -","- C46 H30 F4 I2 -","- C184 H120 F16 I8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0367","0.0298","","","0.0642","0.067","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232355","26.714","0.009","13.423","0.004","7.556","0.003","90","","97.82","0.02","90","","2684.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C120 H64 F16 I8 N16 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.2393","0.0909","","","0.1611","0.2157","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232356","9.3655","0.0004","11.0244","0.0004","13.431","0.0005","89.844","0.002","74.129","0.002","73.241","0.002","1272.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","","- C32 H18 F4 I2 -","- C32 H18 F4 I2 -","- C64 H36 F8 I4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.038","0.0349","","","0.0804","0.082","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00",""
"7232365","9.5897","0.0003","14.3802","0.0007","18.8257","0.0008","107.624","0.004","103.176","0.003","99.794","0.003","2327.76","0.19","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.88 H53 Br2.12 Eu F2.62 N3 O21.62 S0.88 -","- C30.874 H31 Br2.126 Eu F2.622 N3 O10.622 S0.874 -","- C61.748 H62 Br4.252 Eu2 F5.244 N6 O21.244 S1.748 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.055","0.0528","","","0.1478","0.1505","","","","","","1.078","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232366","9.5721","0.0004","14.4092","0.0006","18.7321","0.0007","106.854","0.004","103.019","0.004","99.792","0.004","2331.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69 -","- C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686 -","- C61.372 H62 Br4.628 F4.116 N6 Nd2 O20.116 S1.372 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0642","0.0612","","","0.1752","0.1788","","","","","","1.047","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232367","11.1828","0.0006","13.1617","0.0005","13.3823","0.0007","103.662","0.004","114.054","0.005","106.336","0.004","1581.64","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","1","0.5","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","0.71073","MoKα","","0.0539","0.0402","","","0.0869","0.0944","","","","","","1.024","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232368","9.5251","0.0003","14.2183","0.0003","18.865","0.0007","107.596","0.003","102.916","0.003","99.489","0.002","2298.26","0.14","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm -","- C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm -","- C61.662 H62 Br4.338 F4.986 N6 O20.986 S1.662 Sm2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0643","0.0606","","","0.1672","0.1719","","","","","","1.06","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232369","9.528","0.0004","14.3123","0.0006","18.861","0.0008","107.797","0.004","103.227","0.004","99.461","0.003","2306.55","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H51 Br2 F3 Gd N3 O21 S -","- C31 H31 Br2 F3 Gd N3 O11 S -","- C62 H62 Br4 F6 Gd2 N6 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0724","0.0686","","","0.193","0.1984","","","","","","1.055","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232370","18.7334","0.0004","25.659","0.0005","9.82867","0.00019","90","","102.696","0.002","90","","4608.93","0.16","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm -","- C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 Sm -","- C126.444 H124 Br5.556 F19.332 N12 O51.332 S6.444 Sm4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0589","0.0529","","","0.1453","0.1502","","","","","","1.061","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232371","9.1533","0.0009","14.3573","0.0013","18.8779","0.0016","107.505","0.008","103.919","0.008","96.822","0.008","2247","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br2 N3 Nd O21 -","- C32 H34 Br2 N3 Nd O10 -","- C64 H68 Br4 N6 Nd2 O20 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1097","0.1163","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232372","18.7643","0.0002","25.6962","0.0003","9.85675","0.00012","90","","102.856","0.0012","90","","4633.51","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65 -","- C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647 -","- C126.588 H124 Br5.412 F19.764 N12 Nd4 O53.176 S6.588 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0552","0.0464","","","0.1295","0.1363","","","","","","1.068","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232373","9.5114","0.0004","14.2612","0.0006","18.8972","0.0006","108.079","0.004","103.298","0.003","99.25","0.004","2295.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Br2 F3 N3 O20 S Tb -","- C31 H31 Br2 F3 N3 O11 S Tb -","- C62 H62 Br4 F6 N6 O22 S2 Tb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0721","0.0688","","","0.1859","0.1887","","","","","","1.049","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232374","9.2767","0.0003","13.0591","0.0005","18.3855","0.0008","107.284","0.004","98.961","0.003","94.147","0.003","2084.11","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 O15 Yb -","- C30 H31 Br3 N3 O9 Yb -","- C60 H62 Br6 N6 O18 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0372","0.0327","","","0.0847","0.0879","","","","","","1.034","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232375","9.6013","0.0003","14.3577","0.0003","18.7825","0.0005","106.592","0.002","102.854","0.002","99.256","0.002","2348.43","0.12","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76 -","- C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766 -","- C61.532 H62 Br4.468 F4.596 La2 N6 O20.596 S1.532 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.06","0.0574","","","0.1614","0.1649","","","","","","1.035","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232376","10.0256","0.0003","14.2571","0.0004","18.5311","0.0005","109.018","0.003","105.086","0.003","95.287","0.002","2372.01","0.14","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C32.9 H41 Br0.1 F8.7 N3 O21.7 S2.9 Yb -","- C32.9 H31 Br0.1 F8.7 N3 O16.7 S2.9 Yb -","- C65.8 H62 Br0.2 F17.4 N6 O33.4 S5.8 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0913","0.0822","","","0.2401","0.2745","","","","","","1.184","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232377","9.4378","0.0003","12.3546","0.0003","18.881","0.0004","104.683","0.002","98.809","0.002","99.428","0.002","2056.69","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 Nd O15 -","- C30 H31 Br3 N3 Nd O8 -","- C60 H62 Br6 N6 Nd2 O16 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.1163","0.1179","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232378","9.6393","0.0004","12.2016","0.0006","19.0185","0.0007","105.771","0.004","99.826","0.003","99.967","0.004","2063.48","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 La N6 O24 -","- C30 H31 La N6 O17 -","- C60 H62 La2 N12 O34 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0736","0.0671","","","0.1801","0.1883","","","","","","1.087","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232379","9.4141","0.0003","12.0776","0.0003","18.7454","0.0005","105.103","0.002","98.057","0.002","99.489","0.002","1991.7","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H31 Br2 F3 N3 Nd O11 S -","- C31 H31 Br2 F3 N3 Nd O11 S -","- C62 H62 Br4 F6 N6 Nd2 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0378","0.0367","","","0.0944","0.0952","","","","","","1.05","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232380","18.5943","0.0002","25.8101","0.0004","9.772","0.00013","90","","102.343","0.0013","90","","4581.38","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.58 H47 Br1.42 F4.73 N3 O21.15 S1.58 Tb -","- C31.577 H31 Br1.423 F4.731 N3 O13.154 S1.577 Tb -","- C126.308 H124 Br5.692 F18.924 N12 O52.616 S6.308 Tb4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0637","0.0571","","","0.1567","0.1651","","","","","","1.04","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232381","18.6774","0.0006","25.6718","0.0007","9.756","0.0003","90","","102.421","0.003","90","","4568.3","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.55 H43 Br1.45 Eu F4.64 N3 O19.1 S1.55 -","- C31.548 H31 Br1.452 Eu F4.644 N3 O13.096 S1.548 -","- C126.192 H124 Br5.808 Eu4 F18.576 N12 O52.384 S6.192 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0987","0.0835","","","0.2359","0.2492","","","","","","1.08","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232382","10.1269","0.0003","14.2176","0.0004","34.2981","0.0006","89.1178","0.0019","87.111","0.002","87.308","0.003","4926.1","0.2","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2 -","- C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2 -","- C131.8 H124 Br0.2 F35.4 N12 O70.9 S11.8 Sm4 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0845","0.0694","","","0.176","0.1891","","","","","","1.022","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232383","9.5796","0.0003","12.0095","0.0007","18.6284","0.0005","104.551","0.004","98.841","0.003","102.169","0.004","1978.82","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 O22 Y -","- C30 H31 N6 O17 Y -","- C60 H62 N12 O34 Y2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0593","0.0551","","","0.1496","0.1527","","","","","","1.109","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232384","8.7309","0.0009","12.2707","0.0011","19.3079","0.0011","106.661","0.007","100.429","0.007","91.716","0.008","1941.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 N3 Nd O15 -","- C32 H44 Br2 N3 Nd O15 -","- C64 H88 Br4 N6 Nd2 O30 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0589","0.06","","","","","","1.007","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232385","9.5948","0.0006","12.3229","0.0009","18.8983","0.0013","106.033","0.006","99.619","0.006","99.928","0.006","2060.3","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 N6 Nd O23 -","- C30 H31 N6 Nd O18.001 -","- C60 H62 N12 Nd2 O36.002 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0415","0.0401","","","0.1081","0.1098","","","","","","1.03","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232386","9.1863","0.0006","16.2887","0.0012","17.375","0.0014","90","","99.022","0.007","90","","2567.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29.5 N5.5 O6 Zn -","- C23 H29.5 N5.5 O6 Zn -","- C92 H118 N22 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0621","0.055","","","0.1416","0.1467","","","","","","1.156","","","","has coordinates,has disorder","223645","2020-10-21","18:00:00",""
"7232387","9.7202","0.0006","23.5966","0.0013","12.3749","0.0007","90","","111.874","0.008","90","","2634","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 N10 O10 Zn2 -","- C60 H44 N10 O10 Zn2 -","- C120 H88 N20 O20 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1285","0.0612","","","0.1045","0.1222","","","","","","1.006","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232388","8.8216","0.0004","17.2271","0.0009","18.351","0.0009","90","","102.417","0.007","90","","2723.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N10 O12 Zn2 -","- C52 H52 N10 O12 Zn2 -","- C104 H104 N20 O24 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1425","0.0785","","","0.153","0.1786","","","","","","1.079","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232389","9.1986","0.0007","24.7507","0.0016","12.266","0.0008","90","","111.586","0.008","90","","2596.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 O6 Zn -","- C28 H21 N7 O6 Zn -","- C112 H84 N28 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0392","0.031","","","0.0741","0.0773","","","","","","1.018","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232391","7.0839","0.0003","10.8648","0.0006","10.9553","0.0006","90.615","0.005","94.232","0.004","107.982","0.005","799.3","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N3 O3 -","- C16 H18 Cl N3 O3 -","- C32 H36 Cl2 N6 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0546","0.0487","","","0.1276","0.1368","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232392","11.8236","0.0006","8.6618","0.0003","12.0259","0.0006","90","","113.493","0.006","90","","1129.53","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.04","0.0363","","","0.0946","0.0983","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232393","7.0323","0.0003","8.6204","0.0004","13.7182","0.0006","105.738","0.002","94.77","0.002","103.82","0.002","767.47","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C32 H32 N8 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0372","0.0324","","","0.0903","0.102","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232394","3.9393","0.0001","13.8586","0.0004","21.9545","0.0007","90","","93.737","0.003","90","","1196.02","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0365","0.0309","","","0.0715","0.0761","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232395","3.9592","0.0002","13.8353","0.0007","22.1033","0.0011","90","","93.241","0.005","90","","1208.81","0.11","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0757","0.058","","","0.1605","0.1889","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232396","10.0695","0.0011","4.478","0.0005","23.887","0.003","90","","92.333","0.003","90","","1076.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0782","0.051","","","0.1367","0.1544","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232408","13.5987","0.0004","24.837","0.0006","17.1946","0.0005","90","","92.056","0.003","90","","5803.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O11 Zn2 -","- C68 H48 N4 O11 Zn2 -","- C272 H192 N16 O44 Zn8 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1085","0.0573","","","0.1246","0.1418","","","","","","1.091","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232409","13.5686","0.0004","24.9419","0.0007","17.0814","0.0006","90","","91.796","0.003","90","","5778","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cu2 N4 O11 -","- C68 H48 Cu2 N4 O11 -","- C272 H192 Cu8 N16 O44 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1343","0.0617","","","0.1338","0.1562","","","","","","1.034","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232411","8.7777","0.001","11.1568","0.0015","21.241","0.003","90","","96.632","0.004","90","","2066.2","0.5","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 I N S2 -","- C9 H6 I N S2 -","- C72 H48 I8 N8 S16 -","8","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0336","0.0307","","","0.0974","0.1095","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232412","4.1078","0.0007","24.675","0.005","13.943","0.003","90","","118.785","0.007","90","","1238.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1094","0.0758","","","0.1622","0.1758","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232413","12.526","0.0018","14.352","0.002","14.522","0.002","117.141","0.004","95.478","0.005","100.638","0.005","2234.6","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H8 I2 N2 S6 -","- C18 H8 I2 N2 S6 -","- C72 H32 I8 N8 S24 -","4","2","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1793","0.116","","","0.3164","0.3626","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232414","8.1394","0.0007","6.9798","0.0007","22.487","0.002","90","","94.788","0.003","90","","1273.1","0.2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0337","0.0306","","","0.0814","0.0834","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232415","12.96","0.005","19.166","0.005","20.622","0.005","77.511","0.005","75.913","0.005","83.394","0.005","4840","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1159","0.0664","","","0.1665","0.1906","","","","","","1.023","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232416","13.01","0.005","19.204","0.005","20.756","0.005","77.307","0.005","75.046","0.005","83.226","0.005","4877","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C0 H0 Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1371","0.0917","","","0.2492","0.2897","","","","","","1.056","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232417","12.999","0.005","19.174","0.005","20.681","0.005","77.303","0.005","75.251","0.005","83.327","0.005","4853","3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C0 H0 Ca0 Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1152","0.0695","","","0.179","0.2085","","","","","","1.055","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232418","3.7235","0.0002","23.3797","0.001","7.9055","0.0003","90","","96.548","0.004","90","","683.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C24 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","x-ray","0.71073","MoKα","","0.0351","0.0324","","","0.09","0.0915","","","","","","1.067","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232419","24.171","0.004","3.7103","0.0005","32.824","0.005","90","","111.493","0.005","90","","2739","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C96 H96 Cl16 Cu8 N32 O16 -","8","1","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0742","0.0652","","","0.1799","0.1843","","","","","","1.102","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232420","3.8846","0.0007","23.76","0.005","7.9582","0.0013","90","","96.19","0.016","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0609","0.0481","","","0.075","0.0779","","","","","","1.2","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232421","3.797","0.0007","6.8449","0.0014","13.71","0.003","104.357","0.006","90.019","0.008","92.757","0.006","344.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0504","0.0371","","","0.0668","0.0709","","","","","","1.03","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232423","3.661","0.0004","6.626","0.0007","13.7328","0.0015","76.315","0.003","89.743","0.003","85.572","0.003","322.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0503","0.0422","","","0.1097","0.114","","","","","","1.083","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232424","3.9119","0.0007","13.828","0.002","13.5","0.002","90","","90.883","0.009","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.1148","0.0692","","","0.1306","0.1445","","","","","","1.12","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232429","20.4259","0.0004","4.79492","0.00009","21.6606","0.0005","90","","102.636","0.002","90","","2070.07","0.08","293","2","293","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C15 H31.56 N4 O2 -","- C15 H31.7 N4 O2 -","- C60 H126.8 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1717","0.1775","","","","","","1.039","","","","has coordinates,has disorder","223650","2020-10-21","18:00:00",""
"7232430","5.01883","0.00014","16.5007","0.0005","25.5451","0.0007","90","","90","","90","","2115.5","0.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C22 H31 N5 O2 -","- C22 H31 N5 O2 -","- C88 H124 N20 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0451","0.0404","","","0.1084","0.1119","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232433","12.6244","0.0003","15.2868","0.0004","38.1764","0.0008","90","","97.201","0.002","90","","7309.4","0.3","130","2","130","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F8 O10 Zn -","- C20 H18 F8 O10 Zn -","- C240 H216 F96 O120 Zn12 -","12","3","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0393","0.0284","","","0.0709","0.0771","","","","","","1.044","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232434","19.7538","0.0004","10.54","0.0002","23.0099","0.0005","90","","90.091","0.002","90","","4790.77","0.17","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 F8 N2 O4 Zn -","- C24 H12 F8 N2 O4 Zn -","- C192 H96 F64 N16 O32 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.032","0.0264","","","0.0628","0.0652","","","","","","1.047","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232436","14.925","0.0012","5.4485","0.0004","27.4123","0.0015","90","","101.413","0.006","90","","2185.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F8 N4 O5 Zn -","- C20 H12 F8 N4 O5 Zn -","- C80 H48 F32 N16 O20 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0886","0.073","","","0.2119","0.2278","","","","","","1.05","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232437","13.3346","0.0004","15.4645","0.0004","10.9486","0.0003","90","","94.46","0.003","90","","2250.91","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F8 O8 Zn -","- C19 H16 F8 O8 Zn -","- C76 H64 F32 O32 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0684","0.0732","","","","","","1.044","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232447","11.2067","0.0005","11.2671","0.0006","11.6106","0.0005","90","","104.136","0.004","90","","1421.64","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N3 O2 Zn -","- C12 H8 N3 O2 Zn -","- C48 H32 N12 O8 Zn4 -","4","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0655","0.0463","","","0.119","0.1315","","","","","","1.031","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232448","13.5403","0.0003","14.7298","0.0003","16.54","0.0003","90","","90.2418","0.0018","90","","3298.81","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C96 H64 N24 O16 Zn8 -","4","0.5","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.113","0.1149","","","","","","1.112","","","","has coordinates,has disorder","223735","2020-10-21","18:00:00",""
"7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232450","10.772","0.005","30.453","0.014","10.404","0.005","90","","102.632","0.007","90","","3330","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N7 O7 Zn -","- C34 H31 N7 O7 Zn -","- C136 H124 N28 O28 Zn4 -","4","1","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.1108","0.071","","","0.1545","0.1646","","","","","","1.014","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232451","12.8262","0.0005","9.7712","0.0004","11.9065","0.0005","90","","94.822","0.001","90","","1486.93","0.1","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(en-N)(en-N,N')](NO3)2","(ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate)","","- C6 H24 Cu N8 O6 -","- C6 H24 Cu N8 O6 -","- C24 H96 Cu4 N32 O24 -","4","1","","Sharma, Jai; Jiang, Zhelong; Bhutani, Ankita; Behera, Piush; Shoemaker, Daniel P.","A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands","CrystEngComm","2019","21","17","2718","","10.1039/C8CE02188K","","x-ray","0.71073","MoKα","","0.0235","0.0204","","","0.0477","0.0489","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232452","11.9283","0.0006","6.5439","0.0003","6.8123","0.0003","90","","105.114","0.002","90","","513.36","0.04","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag–π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0483","0.0437","","","0.1189","0.1223","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00",""
"7232454","6.1112","0.0003","9.566","0.0005","10.6221","0.0006","63.173","0.002","82.885","0.002","89.971","0.002","548.79","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","1","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0211","0.0204","","","0.0477","0.048","","","","","","1.052","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232455","10.6098","0.0004","7.332","0.0003","16.7744","0.0007","90","","101.451","0.002","90","","1278.92","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N4 O6 S2 -","- C24 H24 Ag2 N4 O6 S2 -","- C48 H48 Ag4 N8 O12 S4 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0642","0.0474","","","0.1134","0.1239","","","","","","1.05","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232456","13.5975","0.0007","13.8536","0.0007","19.2691","0.0009","90","","92.402","0.003","90","","3626.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C124 H128 Ag8 Cl8 F24 N48 Si4 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0791","0.0468","","","0.1132","0.1259","","","","","","1.048","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232457","9.8391","0.0004","6.9334","0.0003","10.9235","0.0005","90","","103.517","0.002","90","","724.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag2 N6 O6 -","- C10 H10 Ag2 N6 O6 -","- C20 H20 Ag4 N12 O12 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0205","0.0194","","","0.0446","0.0454","","","","","","1.049","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232458","31.402","0.006","21.109","0.004","31.916","0.006","90","","112.57","0.03","90","","19536","8","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C122 H72 Co4 N16 O16 -","- C122 H72 Co4 N16 O16 -","- C488 H288 Co16 N64 O64 -","4","1","","Hua, Carol; D'Alessandro, Deanna M.","Electrochemical and spectroscopic properties of a cobalt framework with (3,7)-c topology","CrystEngComm","2019","21","14","2381","","10.1039/C9CE00050J","","","0.71073","Synchrotron","","0.0924","0.0751","","","0.2312","0.2443","","","","","","1.086","","","","has coordinates","223644","2020-10-21","18:00:00",""
"7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232465","16.927","0.012","11.672","0.012","5.263","0.004","90","","107.16","0.01","90","","993.5","1.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi3 Fe Mo2 O12 -","- Bi3 Fe Mo2 O12 -","- Bi12 Fe4 Mo8 O48 -","4","0.5","","Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang","Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2","CrystEngComm","2019","21","15","2508","","10.1039/C8CE02137F","","","0.71073","MoKα","","0.0584","0.0482","","","0.1203","0.1254","","","","","","1.018","","","","has coordinates","223678","2020-10-21","18:00:00",""
"7232469","12.28107","0.00012","25.8112","0.0003","11.74661","0.00012","90","","102.728","0.001","90","","3632.05","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C104 H168 Ag20 F12 N6 O8 S16 -","4","1","","Wang, Jie; Li, Yan-Ling; Wang, Zhao-Yang; Zang, Shuang-Quan","A robust wave-like silver‒thiolate chain based metal‒organic network: synthesis, structure and luminescence","CrystEngComm","2019","21","14","2264","","10.1039/C9CE00054B","","x-ray","1.54184","CuKα","","0.0546","0.0518","","","0.1369","0.1389","","","","","","1.047","","","","has coordinates,has disorder","223647","2020-10-21","18:00:00",""
"7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232471","7.727","0.002","11.231","0.003","17.977","0.005","73.848","0.004","79.22","0.004","86.104","0.004","1471.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F6 I2 N2 O4 -","- C28 H24 F6 I2 N2 O4 -","- C56 H48 F12 I4 N4 O8 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0533","0.0452","","","0.1425","0.1596","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232472","9.613","0.0006","15.5774","0.001","16.88","0.0011","69.045","0.002","76.089","0.002","82.935","0.002","2289.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 F8 I2 N4 O7 -","- C39 H46 F8 I2 N4 O7 -","- C78 H92 F16 I4 N8 O14 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0656","0.0588","","","0.1639","0.1694","","","","","","1.071","","","","has coordinates,has disorder","223610","2020-10-21","18:00:00",""
"7232473","9.3189","0.0003","16.8147","0.0005","18.319","0.0006","116.249","0.001","96.238","0.001","100.841","0.001","2467.84","0.14","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 F6 I3 N4 O6 -","- C43 H46 F6 I3 N4 O6 -","- C86 H92 F12 I6 N8 O12 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0514","0.0359","","","0.0827","0.0919","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232474","8.6303","0.0002","14.1861","0.0004","31.0691","0.0009","90","","93.665","0.001","90","","3796.02","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N4 O10 -","- C38 H50 N4 O10 -","- C152 H200 N16 O40 -","4","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0749","0.0634","","","0.1737","0.186","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232475","43.58","0.009","41.907","0.008","12.364","0.002","90","","92.96","0.03","90","","22550","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris-silver-bis-N,N?,N?-tris(2-(pyridin-4-yl)ethyl)-1,3,5-benzenetricarboxamide triflate","","- C63 H60 Ag3 F9 N12 O15 S3 -","- C62 H60 Ag3 F6 N12 O12 S2 -","- C496 H480 Ag24 F48 N96 O96 S16 -","8","1","","Lee, Daseul; Kim, Dongwon; Lee, Haeri; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Adsorption of anthracene substitutes into suprachannels: bulk vs. included guests","CrystEngComm","2019","21","14","2303","","10.1039/C8CE02185F","","","0.75","synchrotron","","0.1514","0.1324","","","0.4096","0.4536","","","","","","1.99","","","","has coordinates,has disorder","223648","2020-10-21","18:00:00",""
"7232476","4.4942","0.0006","16.396","0.002","9.0283","0.0012","90","","89.977","0.007","90","","665.27","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0826","0.0389","","","0.0672","0.0739","","","","","","0.761","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232477","5.2351","0.0003","22.4779","0.0013","8.4174","0.0005","90","","94.301","0.004","90","","987.72","0.1","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0681","0.0482","","","0.106","0.1126","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232478","4.5039","0.0001","16.389","0.0006","8.8561","0.0003","90","","91.271","0.002","90","","653.55","0.04","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71069","MoKα","","0.0418","0.0328","","","0.0893","0.0934","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232479","5.2638","0.0007","22.58","0.003","8.5353","0.0011","90","","93.269","0.007","90","","1012.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.174","0.0742","","","0.2101","0.2378","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232480","10.9713","0.0003","12.5068","0.0003","12.1087","0.0003","90","","90.476","0.001","90","","1661.45","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Hg I2 N3 O2 -","- C12 H13 Hg I2 N3 O2 -","- C48 H52 Hg4 I8 N12 O8 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0587","0.0552","","","0.1217","0.1229","","","","","","1.37","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232481","7.9879","0.0014","13.791","0.002","12.334","0.002","90","","93.939","0.002","90","","1355.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 Hg N3 O -","- C11 H9 Br2 Hg N3 O -","- C44 H36 Br8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0846","0.0817","","","0.1776","0.1787","","","","","","1.421","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232482","7.9213","0.0006","13.4161","0.001","11.9553","0.0009","90","","95.349","0.002","90","","1264.99","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0952","0.0926","","","0.2072","0.2081","","","","","","1.528","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232484","8.0392","0.0007","14.4602","0.0012","12.4285","0.001","90","","92.449","0.002","90","","1443.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd I2 N3 O -","- C11 H9 Cd I2 N3 O -","- C44 H36 Cd4 I8 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0698","0.0601","","","0.1187","0.1242","","","","","","1.177","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232485","12.3192","0.0003","22.2133","0.0006","24.4657","0.0013","90","","94.038","0.004","90","","6678.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H126 N18 Ni13 O98 P2 W18 -","- C32 H92 N18 Ni13 O98 P2 W18 -","- C64 H184 N36 Ni26 O196 P4 W36 -","2","0.5","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.14","0.0862","","","0.1918","0.2179","","","","","","1.064","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232488","13.2457","0.0005","11.445","0.0005","13.8215","0.0006","90","","101.881","0.001","90","","2050.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co3 N6 O18 -","- C40 H30 Co3 N6 O18 -","- C80 H60 Co6 N12 O36 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0467","0.0344","","","0.0833","0.0882","","","","","","1.041","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232489","13.306","0.006","9.76","0.004","18.493","0.008","90","","93.339","0.007","90","","2397.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co3 N6 O16 -","- C46 H42 Co3 N6 O16 -","- C92 H84 Co6 N12 O32 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0554","0.0457","","","0.1359","0.1519","","","","","","1.089","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232490","25.3565","0.0011","9.444","0.0004","18.7778","0.0008","90","","105.363","0.001","90","","4336","0.3","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl2 Co3 N4 O14 -","- C40 H30 Cl2 Co3 N4 O14 -","- C160 H120 Cl8 Co12 N16 O56 -","4","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0462","0.0365","","","0.0889","0.0934","","","","","","1.026","","","","has coordinates,has disorder","223680","2020-10-21","18:00:00",""
"7232492","11.921","0.003","16.418","0.004","10.642","0.002","90","","104.408","0.005","90","","2017.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","F5BAI-PyrThio2","","- C21 H9 F5 I N S2 -","- C21 H9 F5 I N S2 -","- C84 H36 F20 I4 N4 S8 -","4","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","0.71073","MoKα","K-L~3~","0.0306","0.0234","","","0.05","0.0526","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232493","8.698","0.0015","10.4998","0.0015","12.215","0.002","86.922","0.007","70.756","0.006","68.527","0.004","977.3","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","F5BAI-PyrFur2","","- C21 H9 F5 I N O2 -","- C21 H9 F5 I N O2 -","- C42 H18 F10 I2 N2 O4 -","2","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232497","7.4674","0.0016","15.866","0.003","24.954","0.006","97.734","0.009","93.796","0.012","93.228","0.008","2916.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pimelic acid_isonicotinamide (1:2) cocrystal","","","- C57 H72 N12 O18 -","- C57 H72 N12 O18 -","- C114 H144 N24 O36 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.0418","0.0357","","","0.1098","0.1151","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232498","7.6025","0.0005","8.5644","0.0004","17.657","0.0009","91.672","0.004","95.094","0.005","103.671","0.005","1111.18","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Azelaic acid_isonicotinamide 1:2 cocrystal","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C42 H56 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1146","0.0689","","","0.1602","0.1881","","","","","","0.902","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232499","7.38","0.03","8.39","0.03","9.02","0.03","92.46","0.05","96.65","0.04","91.65","0.04","554","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sebacic acid: isonicotinamide 1:2 cocrystal","","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1648","0.0936","","","0.1967","0.2502","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232500","7.69","0.012","8.987","0.015","16.77","0.03","96.724","0.006","96.41","0.02","115.163","0.015","1025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Suberic acid_isonicotinamide (1:2) cocrystal","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd–even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1018","0.068","","","0.1654","0.1971","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232526","8.1277","0.0008","12.0713","0.0016","25.815","0.002","90","","95.384","0.007","90","","2521.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 I2 N6 O2 Zn -","- C22 H14 F4 I2 N6 O2 Zn -","- C88 H56 F16 I8 N24 O8 Zn4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.09","0.0787","","","0.1184","0.1429","","","","","","1.001","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232530","9.8073","0.0007","10.2949","0.0007","15.0299","0.0008","89.515","0.005","89.492","0.005","66.462","0.007","1391.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O2 P S -","- C29 H23 Cu N5 O2 P S -","- C58 H46 Cu2 N10 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1211","0.0628","","","0.1495","0.1886","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232531","9.8681","0.0013","10.5055","0.0014","15.218","0.002","86.886","0.011","88.725","0.011","66.073","0.013","1439.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O P S2 -","- C29 H23 Cu N5 O P S2 -","- C58 H46 Cu2 N10 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1436","0.0669","","","0.1619","0.2435","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232532","9.796","0.0015","12.651","0.003","12.905","0.002","63.694","0.019","84.05","0.014","71.894","0.016","1361.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O P S5 -","- C24 H18 Cu N4 O P S5 -","- C48 H36 Cu2 N8 O2 P2 S10 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1478","0.0913","","","0.2331","0.3017","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232533","9.8303","0.0007","12.5727","0.0012","12.6202","0.0012","65.192","0.009","85.784","0.007","71.776","0.008","1341.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O2 P S4 -","- C24 H18 Cu N4 O2 P S4 -","- C48 H36 Cu2 N8 O4 P2 S8 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1034","0.0583","","","0.1239","0.1492","","","","","","1","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232534","14.141","0.003","15.307","0.003","19.905","0.004","67.42","0.03","77.79","0.03","83.87","0.03","3886.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","nicosulfuron","","- C15 H20 N6 O7 S -","- C15 H20 N6 O7 S -","- C120 H160 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1333","0.0873","","","0.2068","0.2401","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232535","23.197","0.005","14.331","0.003","13.596","0.003","90","","112.54","0.03","90","","4174.5","1.8","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N7 O6 S -","- C17 H21 N7 O6 S -","- C136 H168 N56 O48 S8 -","8","1","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.0785","0.0595","","","0.1226","0.1328","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232536","7.8533","0.0016","20.401","0.004","25.859","0.005","85.55","0.03","83.76","0.03","85.07","0.03","4093.5","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 S -","- C16 H22 N6 O7 S -","- C128 H176 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1316","0.0684","","","0.156","0.1946","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232537","18.96","0.003","6.7993","0.0011","29.935","0.005","90","","91.638","0.014","90","","3857.5","1.1","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","PRX-OXA","Paroxetine oxalate","","- C40 H44 F2 N2 O11 -","- C40 H42 F2 N2 O11 -","- C160 H168 F8 N8 O44 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","x-ray","0.71073","MoKα","","0.1338","0.0774","","","0.2097","0.2645","","","","","","1.021","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232543","9.3936","0.0003","13.3227","0.0004","14.561","0.0004","70.316","0.002","88.607","0.002","80.167","0.002","1689.51","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","1","","Chen, Shaojin; Zhang, Wenxuan; Liu, Wei; Ge, Zhaohai; Wang, Kun-Peng; Gan, Li-Hua; Hu, Zhi-Qiang","Binaphthanol-based organic fluorophores with color tunability and their optical properties","CrystEngComm","2019","21","17","2809","","10.1039/C9CE00170K","","x-ray","1.54178","CuKα","","0.0488","0.0455","","","0.1253","0.1311","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232556","9.7009","0.0011","15.2187","0.0015","15.7698","0.0014","70.569","0.004","84.308","0.006","83.265","0.005","2175.9","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C90 H138 Ce2 O6 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0687","0.0399","","","0.0943","0.1071","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232557","9.7113","0.0003","15.0872","0.0004","15.6649","0.0005","70.506","0.002","83.665","0.002","82.16","0.002","2138.2","0.11","160","2","160","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C90 H138 O6 Y2 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0682","0.0377","","","0.0864","0.0965","","","","","","1.005","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232558","9.691","0.0006","25.0295","0.0017","45.485","0.003","76.182","0.004","86.604","0.003","80.933","0.003","10577","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C450 H690 O30 Y10 -","10","5","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1354","0.0631","","","0.1284","0.1513","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232559","9.7054","0.0005","25.1144","0.0012","17.7491","0.0009","92.271","0.003","91.056","0.003","98.699","0.003","4271.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C180 H276 O12 Y4 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1123","0.051","","","0.1048","0.1221","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232560","9.648","0.0004","17.7941","0.0007","25.1982","0.001","92.202","0.002","97.768","0.002","91.001","0.002","4282","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C180 H276 Ce4 O12 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0461","0.0332","","","0.0749","0.08","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232561","9.6914","0.0004","25.0653","0.001","35.4181","0.0014","92.297","0.002","91.122","0.002","98.89","0.002","8490.6","0.6","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C360 H552 O24 Y8 -","8","4","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1058","0.0572","","","0.1175","0.132","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232566","6.8003","0.0002","11.3128","0.0003","15.4766","0.0005","108.407","0.003","91.535","0.003","99.86","0.003","1108.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Ag2 N6 O16 -","- C16 H16 Ag2 N6 O16 -","- C32 H32 Ag4 N12 O32 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.037","0.0355","","","","0.0989","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232572","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232573","17.05","0.0007","9.8304","0.0004","9.3339","0.0003","90","","105.097","0.002","90","","1510.44","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C60 H84 N12 O8 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0115","3.84067","","","","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232574","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00",""
"7232576","4.2934","0.0003","6.2651","0.0004","13.2828","0.0008","101.118","0.005","96.9","0.005","98.117","0.005","343.05","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1034","0.1042","","","","","","1.137","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232577","9.8371","0.0008","12.5539","0.001","21.3222","0.0015","90","","96.397","0.007","90","","2616.8","0.4","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 O4 -","- C28 H16 F4 I2 O4 -","- C112 H64 F16 I8 O16 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0865","0.0603","","","0.122","0.1334","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232578","8.2542","0.0003","15.364","0.0005","10.5028","0.0005","90","","106.955","0.004","90","","1274.05","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 I2 O6 -","- C24 H20 F4 I2 O6 -","- C48 H40 F8 I4 O12 -","2","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0315","0.0238","","","0.0602","0.0644","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232579","7.6135","0.0005","28.68","0.002","7.4414","0.0007","90","","98.956","0.007","90","","1605.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F4 I2 O3 -","- C14 H8 F4 I2 O3 -","- C56 H32 F16 I8 O12 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0811","0.0558","","","0.1105","0.1215","","","","","","1.196","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232580","8.1668","0.0005","8.4423","0.0006","10.8612","0.0005","100.288","0.005","105.696","0.005","110.297","0.006","644.64","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0402","0.0308","","","0.0723","0.0773","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00",""
"7232586","12.029","0.003","14.609","0.003","11.379","0.002","90","","105.267","0.008","90","","1929.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F6 N4 O4 Pb -","- C19 H8 F6 N4 O4 Pb -","- C76 H32 F24 N16 O16 Pb4 -","4","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0631","0.0585","","","0.2327","0.2365","","","","","","1.112","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232587","8.6232","0.001","14.3867","0.0016","20.811","0.002","82.007","0.004","78.332","0.004","89.992","0.004","2502.8","0.5","258","2","258","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Er2 F12 N8 O19 -","- C40 H16 Er2 F12 N8 O19 -","- C80 H32 Er4 F24 N16 O38 -","2","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0894","0.0698","","","0.1815","0.1943","","","","","","1.12","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232588","36.599","0.0016","7.4499","0.0003","14.2144","0.0006","90","","101.811","0.003","90","","3793.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Mg N4 O5 -","- C19 H8 F6 Mg N4 O5 -","- C152 H64 F48 Mg8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0849","0.0489","","","0.1042","0.1219","","","","","","1.026","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232589","36.5822","0.0012","7.4122","0.0002","14.3145","0.0005","90","","101.916","0.002","90","","3797.8","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Fe N4 O5 -","- C19 H8 F6 Fe N4 O5 -","- C152 H64 F48 Fe8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0738","0.0439","","","0.0938","0.1082","","","","","","1.045","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232590","36.1261","0.001","7.4323","0.0002","14.6837","0.0004","90","","101.086","0.002","90","","3869","0.18","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cd F6 N4 O5 -","- C19 H8 Cd F6 N4 O5 -","- C152 H64 Cd8 F48 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0471","0.0328","","","0.067","0.0735","","","","","","1.056","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232591","36.737","0.007","7.4036","0.0015","14.345","0.003","90","","102.32","0.03","90","","3811.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 N4 O5 Zn -","- C19 H6 F6 N4 O5 Zn -","- C152 H48 F48 N32 O40 Zn8 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0888","0.0803","","","0.2313","0.2349","","","","","","1.107","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232597","10.373","0.0005","13.4532","0.0006","13.9106","0.0006","83.333","0.002","84.907","0.002","70.842","0.002","1818.66","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole","","","- C47 H40 N2 O S2 -","- C47 H40 N2 O S2 -","- C94 H80 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0451","0.0352","","","0.0881","0.095","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232598","8.9125","0.0005","9.0807","0.0005","13.0222","0.0006","90.729","0.002","109.691","0.002","111.869","0.002","909.28","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0552","0.0416","","","0.1027","0.1107","","","","","","1.043","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232599","8.9207","0.0004","9.1082","0.0004","12.6652","0.0006","91.979","0.002","107.947","0.002","111.131","0.002","900.79","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water","","","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0488","0.0414","","","0.1075","0.1141","","","","","","1.036","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232600","10.5144","0.0006","13.7009","0.0007","13.7121","0.0007","84.337","0.002","70.982","0.002","87.993","0.002","1858.38","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0541","0.0441","","","0.1171","0.1271","","","","","","1.024","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232601","9.0063","0.0004","9.1151","0.0004","12.6154","0.0005","92.511","0.002","106.59","0.002","112.306","0.002","904.63","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:p-xylene","","","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0577","0.0425","","","0.1025","0.1115","","","","","","1.032","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232602","10.5363","0.0006","13.6858","0.0007","13.71","0.0007","95.756","0.002","108.128","0.002","90.207","0.002","1868.08","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:3-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0443","0.0354","","","0.0897","0.0959","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232603","9.2867","0.0007","10.2931","0.0008","10.7281","0.0008","90.623","0.001","99.019","0.001","102.689","0.001","986.98","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0269","0.0256","","","0.0669","0.0677","","","","","","1.054","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232604","9.2905","0.0012","10.3007","0.0013","10.7373","0.0014","90.642","0.002","98.969","0.002","102.623","0.002","989.4","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0532","0.0398","","","0.1067","0.1189","","","","","","0.869","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232606","12.3874","0.0006","10.7643","0.0004","8.761","0.0004","90","","98.765","0.005","90","","1154.56","0.09","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H22 B2 N4 O8 -","- C24 H22 B2 N4 O8 -","- C48 H44 B4 N8 O16 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0601","0.0463","","","0.1125","0.1199","","","","","","1.066","","","","has coordinates,has disorder","223623","2020-10-21","18:00:00",""
"7232607","3.9208","0.0004","10.445","0.0009","29.717","0.003","90","","90.34","0.009","90","","1217","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 N2 O10 -","- C26 H26 B2 N2 O10 -","- C52 H52 B4 N4 O20 -","2","0.5","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1387","0.1677","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232608","10.5211","0.0005","21.0309","0.0009","7.6551","0.0004","90","","99.368","0.005","90","","1671.24","0.14","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 N2 O9 -","- C14 H16 B2 N2 O9 -","- C56 H64 B8 N8 O36 -","4","1","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.096","0.0514","","","0.1082","0.1298","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232618","20.6948","0.0009","19.1425","0.0007","7.5103","0.0002","90","","92.828","0.002","90","","2971.58","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodidobis(acetonitrile)hexacopper(I)","","- C22 H21 Cu6 I3 N2 S3 -","- C22 H21 Cu6 I3 N2 S3 -","- C88 H84 Cu24 I12 N8 S12 -","4","1","","Troyano, Javier; Castillo, Óscar; Amo-Ochoa, Pilar; Martínez, J. Ignacio; Zamora, Félix; Delgado, Salomé","Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties","CrystEngComm","2019","21","20","3232","","10.1039/C9CE00313D","","x-ray","0.71073","MoKα","","0.0956","0.0446","","","0.0864","0.1041","","","","","","1.014","","","","has coordinates","223619","2020-10-21","18:00:00",""
"7232619","18.636","0.003","14.5547","0.0019","27.872","0.004","90","","92.464","0.002","90","","7553.1","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Au Br1.74 Cl0.26 O4 P3 S4 -","- C84 H68 Au Br1.7404 Cl0.2596 O4 P3 S4 -","- C336 H272 Au4 Br6.9616 Cl1.0384 O16 P12 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0978","0.0553","","","0.1224","0.1467","","","","","","1.067","","","","has coordinates","223685","2020-10-21","18:00:00",""
"7232620","24.0138","0.0004","7.3818","0.0004","25.0096","0.0007","90","","110.872","0.0007","90","","4142.4","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Au O6 P S4 -","- C44 H44 Au O6 P S4 -","- C176 H176 Au4 O24 P4 S16 -","4","0.5","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.68889","synchrotron","","0.0542","0.0289","","","0.0668","0.0895","","","","","","0.95","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232621","7.4715","0.0017","16.423","0.004","27.825","0.007","90","","90.076","0.003","90","","3414.2","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Au O4.5 P S4 -","- C36 H28 Au O4.5 P S4 -","- C144 H112 Au4 O18 P4 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0595","0.0462","","","0.1094","0.1177","","","","","","1.117","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232622","10.783","0.003","14.172","0.004","16.481","0.005","65.051","0.008","80.38","0.013","79.305","0.014","2232.7","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au O5 P S4 -","- C40 H38 Au O5 P S4 -","- C80 H76 Au2 O10 P2 S8 -","2","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0614","0.0431","","","0.1028","0.1154","","","","","","0.994","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232623","5.235","0.0004","10.451","0.0009","13.2627","0.0011","80.451","0.003","85.302","0.003","83.095","0.003","708.95","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N5 O5 S2 -","- C9 H15 N5 O5 S2 -","- C18 H30 N10 O10 S4 -","2","1","","Song, Yu; Wang, Ling-Yang; Liu, Fang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Simultaneously enhancing the in vitro/in vivo performances of acetazolamide using proline as a zwitterionic coformer for cocrystallization","CrystEngComm","2019","21","19","3064","","10.1039/C9CE00270G","","","0.71073","MoKα","","0.0664","0.0505","","","0.1285","0.1389","","","","","","1.059","","","","has coordinates","223602","2020-10-21","18:00:00",""
"7232624","21.074","0.004","12.547","0.003","14.06","0.003","90","","105.68","0.03","90","","3579.3","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 N2 O8 -","- C40 H38 Cl2 N2 O8 -","- C160 H152 Cl8 N8 O32 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0777","0.0736","","","0.1923","0.194","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232625","14.101","0.003","16.998","0.003","21.305","0.004","72.5","0.03","88.77","0.03","85.34","0.03","4854.1","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H93 Co4 N7 O23 -","- C89 H93 Co4 N7 O23 -","- C178 H186 Co8 N14 O46 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1208","0.0873","","","0.2379","0.2613","","","","","","1.032","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232626","16.204","0.004","13.645","0.005","22.195","0.004","90","","93.12","0.03","90","","4900","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N O5 -","- C20 H18 Cu N O5 -","- C160 H144 Cu8 N8 O40 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1669","0.1361","","","0.3374","0.3617","","","","","","1.131","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232627","25.007","0.005","34.875","0.007","16.063","0.003","90","","107.55","0.03","90","","13357","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cu2 N4 O11 -","- C46 H48 Cu2 N4 O11 -","- C368 H384 Cu16 N32 O88 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1204","0.0812","","","0.2369","0.2629","","","","","","1.041","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232628","19.276","0.004","13.237","0.003","19.747","0.004","90","","95.04","0.03","90","","5019.1","1.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N2 O10 -","- C40 H36 Cd2 N2 O10 -","- C160 H144 Cd8 N8 O40 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1559","0.109","","","0.3039","0.3355","","","","","","1.051","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232629","8.865","0.0018","10.969","0.002","12.44","0.003","74.58","0.03","88.22","0.03","87.34","0.03","1164.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Mn N2 O5 -","- C24 H25 Mn N2 O5 -","- C48 H50 Mn2 N4 O10 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0621","0.0564","","","0.1463","0.1515","","","","","","1.049","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232630","10.954","0.002","13.627","0.003","14.312","0.003","101.03","0.03","106.14","0.03","94.29","0.03","1995.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cu2 N3 O9.5 -","- C43 H40 Cu2 N3 O9.5 -","- C86 H80 Cu4 N6 O19 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1077","0.0657","","","0.1659","0.1961","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232655","10.2009","0.0008","11.2819","0.0008","14.59","0.0012","100.549","0.003","98.728","0.005","95.222","0.005","1619.4","0.2","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1499","0.0915","","","0.2213","0.278","","","","","","0.864","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232656","10.51253","0.00019","11.3405","0.0002","14.6657","0.0003","98.3194","0.0009","100.576","0.0009","98.4908","0.0009","1673.12","0.06","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1282","0.0659","","","0.1124","0.1406","","","","","","0.827","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232657","20.076","0.005","19.744","0.004","14.25","0.003","90","","133.285","0.006","90","","4111.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H37 N9 O11 Zn2 -","- C18 H8 N5 O8 Zn2 -","- C72 H32 N20 O32 Zn8 -","4","0.5","","Zou, Lifei; Yuan, Jiaqi; Yuan, Yang; Gu, Jiaming; Li, Guanghua; Zhang, Lirong; Liu, Yunling","A Zn(ii) metal‒organic framework constructed by a mixed-ligand strategy for CO2 capture and gas separation","CrystEngComm","2019","21","21","3289","","10.1039/C9CE00343F","","","0.71073","MoKα","","0.0454","0.0306","","","0.0846","0.0917","","","","","","1.041","","","","has coordinates,has disorder","223694","2020-10-21","18:00:00",""
"7232658","13.779","0.0003","6.8067","0.0001","42.0629","0.0008","90","","97.22","0.001","90","","3913.78","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0511","0.0412","","","0.1206","0.1245","","","","","","1.147","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232661","8.403","0.0014","10.9764","0.0018","20.319","0.003","99.433","0.002","94.128","0.002","109.784","0.002","1723.2","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H59 N7 O2 -","- C34 H59 N7 O2 -","- C68 H118 N14 O4 -","2","1","","Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo","Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives","CrystEngComm","2019","21","20","3142","","10.1039/C9CE00407F","","","0.71073","MoKα","","0.1122","0.0652","","","0.1631","0.1955","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232662","9.8795","0.0011","22.045","0.002","11.3775","0.0012","90","","114.823","0.002","90","","2249","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N6 O5 Zn -","- C23 H18 N6 O5 Zn -","- C92 H72 N24 O20 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0359","0.0302","","","0.0895","0.0926","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232663","19.4386","0.0013","11.5018","0.0008","13.4225","0.0009","90","","131.941","0.002","90","","2232.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","0.5","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.095","0.067","","","0.1839","0.2137","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232664","12.02","0.002","16.434","0.003","14.413","0.003","90","","98.58","0.03","90","","2815.2","0.9","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 N6 O5.5 Zn -","- C29.5 H24 N6 O5.5 Zn -","- C118 H96 N24 O22 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D–A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0569","0.043","","","0.1073","0.1155","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232665","9.1075","0.0008","11.8822","0.0011","15.5502","0.0014","80.532","0.003","74.179","0.003","74.763","0.003","1554.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 Eu2 N2 O18 -","- C26 Eu2 N2 O18 -","- C52 Eu4 N4 O36 -","2","1","","Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao","A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution","CrystEngComm","2019","21","22","3471","","10.1039/C9CE00241C","","","0.71073","MoKα","","0.0353","0.0305","","","0.0882","0.1001","","","","","","1.196","","","","has coordinates","223492","2020-10-21","18:00:00",""
"7232666","18.5984","0.0009","18.5984","0.0009","38.5338","0.0018","90","","90","","120","","11543.1","1","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Cu2 O10 -","- C24 H18 Cu2 O10 -","- C216 H162 Cu18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0634","0.0511","","","0.1733","0.1868","","","","","","1.034","","","","has coordinates,has disorder","223620","2020-10-21","18:00:00",""
"7232667","18.826","0.0008","18.826","0.0008","27.3427","0.0012","90","","90","","90","","9690.8","0.7","100","2","100","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C24 H18 Cu2 O10 -","- C24 H14 Cu2 O10 -","- C192 H112 Cu16 O80 -","8","0.5","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0843","0.0726","","","0.308","0.3394","","","","","","1.075","","","","has coordinates","223620","2020-10-21","18:00:00",""
"7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232675","5.3026","0.0008","9.7451","0.0014","15.944","0.002","98.317","0.003","94.448","0.003","92.455","0.003","811.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","Mo-Kα","","0.0519","0.0398","","","0.1002","0.1071","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232676","5.335","0.0009","9.684","0.0012","16.482","0.0018","73.861","0.005","84.239","0.007","88.632","0.009","813.83","0.19","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.5636","synchrotron","","0.0348","0.0339","","","0.0951","0.0961","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232677","9.1924","0.0004","18.5092","0.0008","29.8277","0.0012","98.893","0.002","94.559","0.002","90.651","0.002","4996.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C216 H264 N12 O12 S12 -","6","3","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","MoKα","","0.0997","0.0612","","","0.1277","0.148","","","","","","1.121","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232678","9.8106","0.0003","15.2713","0.0006","14.7499","0.0006","90","","102.098","0.004","90","","2160.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Li N4 O5 -","- C22 H24 Li N4 O5 -","- C88 H96 Li4 N16 O20 -","4","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.087","0.0454","","","0.0789","0.0905","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232679","9.2736","0.0006","11.0659","0.0007","11.868","0.0006","83.741","0.005","89.921","0.004","68.591","0.006","1126.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","1","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1133","0.0576","","","0.1057","0.1242","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232680","8.3408","0.0004","12.4515","0.0006","16.7083","0.0009","102.611","0.004","92.029","0.004","99.896","0.004","1663.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 Na O6 -","- C34 H30 N8 Na O6 -","- C68 H60 N16 Na2 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1466","0.1083","","","0.1871","0.2025","","","","","","1.224","","","","has coordinates,has disorder","223691","2020-10-21","18:00:00",""
"7232681","23.6351","0.0002","8.1777","0.0001","26.7566","0.0003","90","","98.007","0.001","90","","5121.12","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 K2 N8 O12 -","- C48 H56 K2 N8 O12 -","- C192 H224 K8 N32 O48 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.0272","0.0252","","","0.0665","0.0679","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232682","8.3032","0.0005","12.43","0.0007","16.5807","0.0012","97.615","0.005","100.354","0.005","100.015","0.005","1633.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Li N8 O6 -","- C34 H30 Li N8 O6 -","- C68 H60 Li2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited – the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1523","0.0767","","","0.1662","0.1938","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232683","8.9568","0.0001","10.4462","0.0002","19.2221","0.0003","95.594","0.002","91.222","0.001","92.512","0.002","1787.63","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(triphenylacetyl)glycine","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.045","0.0434","","","0.1167","0.1185","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232688","13.3958","0.0006","9.2202","0.0003","16.7458","0.0007","90","","108.447","0.005","90","","1962.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(triphenylacetyl)glycylglycine","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0489","0.0384","","","0.0882","0.0944","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232721","29.7813","0.0012","15.7987","0.0007","23.7492","0.0009","90","","101.808","0.002","90","","10937.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C352 H288 Co16 N32 O80 -","8","2","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1456","0.085","","","0.2411","0.2894","","","","","","1.088","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232722","7.936","0.004","14.009","0.007","15.45","0.008","90","","92.041","0.006","90","","1716.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)]NO3","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1552","0.0618","","","0.124","0.1594","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232723","30.071","0.003","7.8976","0.0006","23.8471","0.0017","90","","101.951","0.004","90","","5540.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44.12 H36 Co2 N4 O10 -","- C176.48 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1682","0.1391","","","0.2845","0.3033","","","","","","1.241","","","","has coordinates,has disorder","223489","2020-10-21","18:00:00",""
"7232724","23.7632","0.0011","9.8043","0.0005","20.3897","0.001","90","","102.36","0.002","90","","4640.3","0.4","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.0793","0.0431","","","0.0859","0.0996","","","","","","1.039","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232725","23.7504","0.0014","9.7971","0.0006","20.323","0.0012","90","","104.156","0.002","90","","4585.3","0.5","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1191","0.0489","","","0.1006","0.1371","","","","","","1.018","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232752","5.8006","0.0013","7.8838","0.0018","11.355","0.003","94.479","0.004","92.173","0.004","96.464","0.004","513.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","furfurylamine","1-(2-furyl)methylamine","","- C5 H7 N O -","- C5 H7 N O -","- C20 H28 N4 O4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","0.71073","MoKα","","0.0948","0.074","","","0.2381","0.2524","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232753","5.2801","0.0003","12.0768","0.0007","7.2295","0.0004","90","","98.788","0.001","90","","455.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-furonitrile","furan-2-carbonitrile","","- C5 H3 N O -","- C5 H3 N O -","- C20 H12 N4 O4 -","4","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0361","0.0361","","","0.1044","0.1045","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232756","12.9717","0.0015","17.1881","0.0009","13.0437","0.0019","90","","116.032","0.008","90","","2613.2","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1947","0.1291","","","0.3349","0.4172","","","","","","1.552","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232759","13.0234","0.0015","17.2078","0.0009","13.0925","0.0015","90","","116.209","0.007","90","","2632.4","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1259","0.0941","","","0.2449","0.2721","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232760","10.567","0.0003","11.7875","0.0003","11.2791","0.0003","90","","101.443","0.003","90","","1376.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0887","0.0465","","","0.0992","0.1159","","","","","","1.009","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232761","10.5372","0.0006","11.191","0.006","10.8339","0.0007","90","","102.017","0.006","90","","1249.6","0.7","293","2","293","2","","","2000000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0997","0.0746","","","0.2039","0.2233","","","","","","1.118","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232762","10.5575","0.0008","11.58","0.007","11.1164","0.0008","90","","101.657","0.007","90","","1331","0.8","293","2","293","2","","","600000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.11","0.0777","","","0.1991","0.2229","","","","","","1.125","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232763","10.5403","0.001","11.077","0.01","10.7701","0.001","90","","101.972","0.008","90","","1230.1","1.1","293","2","293","2","","","2500000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1087","0.075","","","0.1924","0.2181","","","","","","1.086","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232764","10.5398","0.0006","11.142","0.005","10.8026","0.0006","90","","102.027","0.005","90","","1240.8","0.6","293","2","293","2","","","2300000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0996","0.0747","","","0.199","0.2185","","","","","","1.091","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232765","10.5441","0.0007","11.239","0.007","10.8819","0.0008","90","","101.974","0.006","90","","1261.5","0.8","293","2","293","2","","","1800000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1016","0.0778","","","0.2012","0.2201","","","","","","1.092","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232766","10.538","0.0007","11.433","0.007","10.992","0.0008","90","","101.824","0.006","90","","1296.2","0.8","293","2","293","2","","","1200000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1034","0.0731","","","0.1837","0.207","","","","","","1.095","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232770","9.982","0.004","10.918","0.003","15.273","0.002","90","","107.315","0.005","90","","1589.1","0.8","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N5 O4 -","- C13 H19 N5 O4 -","- C52 H76 N20 O16 -","4","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug–drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.0847","0.0499","","","0.129","0.1512","","","","","","0.96","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232771","9.0858","0.0009","11.9718","0.0012","16.5784","0.0017","69.9","0.001","75.107","0.002","67.877","0.003","1551.8","0.3","205","2","205","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 N10 O9 -","- C26 H40 N10 O9 -","- C52 H80 N20 O18 -","2","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug–drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.1049","0.0535","","","0.1125","0.1369","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232773","7.491","0.0004","11.4453","0.0006","13.0462","0.0006","100.758","0.004","92.216","0.004","93.539","0.004","1095.35","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N10 O -","- C24 H20 N10 O -","- C48 H40 N20 O2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC–SC transformation within the ZnII–triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0405","0.0378","","","0.0954","0.0979","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232774","17.897","0.002","14.8153","0.0015","21.628","0.002","90","","98.305","0.011","90","","5674.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20.4 Cl5 Cu N10 O0.7 -","- C25 H19 Cl5 Cu N10 O0.7 -","- C200 H152 Cl40 Cu8 N80 O5.6 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1026","0.0636","","","0.1526","0.1708","","","","","","1.063","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232775","10.9739","0.0006","12.7951","0.0007","13.6318","0.0006","104.805","0.004","96.979","0.004","91.525","0.005","1833.5","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br6 N12 O6 Zn -","- C25 H19 Br3 N12 O6 Zn -","- C50 H38 Br6 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0809","0.0682","","","0.1898","0.2018","","","","","","1.094","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232776","12.359","0.01","12.665","0.009","13.855","0.01","75.7","0.03","72.44","0.02","87.55","0.04","2002","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O6 Zn -","- C24 H18 N12 O6 Zn -","- C48 H36 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.121","0.0941","","","0.2594","0.278","","","","","","1.009","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232777","18.5353","0.0015","15.4936","0.0015","21.554","0.002","90","","96.986","0.002","90","","6143.9","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C228 H228 Cl16 Mn8 N92 O12 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0863","0.0542","","","0.1229","0.1436","","","","","","1.009","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232778","14.917","0.003","20.459","0.004","15.642","0.003","90","","116.312","0.003","90","","4279.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C192 H144 N80 -","8","2","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC–SC transformation within the ZnII–triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1053","0.0548","","","0.1322","0.1613","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232779","29.6595","0.0007","12.2726","0.0005","32.6526","0.0009","90","","100.427","0.002","90","","11689.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H55.5 Cl2 Fe N20 O9.75 -","- C48 H38 Cl2 Fe N20 O3 -","- C384 H304 Cl16 Fe8 N160 O24 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0936","0.0719","","","0.1944","0.2122","","","","","","1.024","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232780","19.885","0.006","21.893","0.006","14.279","0.004","90","","126.457","0.003","90","","5000","2","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H19 N12 O4 Zn2 -","- C21 H17 N12 O4 Zn2 -","- C84 H68 N48 O16 Zn8 -","4","0.5","","Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao","A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid","CrystEngComm","2019","21","24","3679","","10.1039/C9CE00513G","","","0.71073","MoKα","","0.068","0.0548","","","0.2038","0.2144","","","","","","1.226","","","","has coordinates","223477","2020-10-21","18:00:00",""
"7232781","9.8451","0.0003","15.1918","0.0004","7.4842","0.0002","90","","108.573","0.003","90","","1061.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-lutidinium hydrogen fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P.","An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate","CrystEngComm","2019","21","22","3502","","10.1039/C9CE00633H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.0982","0.1018","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232789","17.616","0.003","5.6004","0.001","12.779","0.002","90","","98.051","0.006","90","","1248.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0853","0.0572","","","0.1196","0.1317","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232791","6.4513","0.0003","7.9032","0.0003","23.1654","0.0009","90","","96.107","0.001","90","","1174.41","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F N2 O -","- C15 H11 F N2 O -","- C60 H44 F4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.043","0.0387","","","0.0953","0.0979","","","","","","1.105","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232803","16.755","0.0008","19.747","0.001","7.6891","0.0004","90","","98.211","0.003","90","","2517.9","0.2","170","2","170.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.094","0.0713","","","0.2004","0.219","","","","","","1.056","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232804","17.384","0.004","19.973","0.005","7.823","0.002","90","","98.17","0.01","90","","2688.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O2 -","- C28 H24 Br2 N2 O2 -","- C112 H96 Br8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1311","0.0719","","","0.1798","0.2155","","","","","","1.021","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232805","17.277","0.002","19.953","0.003","7.804","0.0011","90","","98.811","0.005","90","","2658.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1443","0.0692","","","0.1488","0.1926","","","","","","1.016","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232807","7.458","0.0004","10.663","0.0006","15.677","0.0007","82.162","0.002","87.933","0.002","72.31","0.002","1176.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[tetraaqua(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)]","","- C18 H17 Br3 Dy N3 O10 -","- C18 H17 Br3 Dy N3 O10 -","- C36 H34 Br6 Dy2 N6 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0446","0.0275","","","0.0418","0.0448","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232808","11.61","0.0005","15.8524","0.0008","16.6978","0.0006","90","","90.443","0.003","90","","3073.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)ytterbium(III)] [diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Yb -","- C24 H19 Br4 N4 O11 Yb -","- C96 H76 Br16 N16 O44 Yb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.1166","0.0558","","","0.0721","0.0847","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232809","10.163","0.0005","11.526","0.0006","11.611","0.0006","88.319","0.002","85.525","0.002","69.254","0.002","1268.03","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","poly-{[triaquabis(mu-5-bromonicotinato-kO:kO')(5-bromonicotinato-kO)neodymium(III)] hydrate}","","- C18 H17 Br3 N3 Nd O10 -","- C18 H17 Br3 N3 Nd O10 -","- C36 H34 Br6 N6 Nd2 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0431","0.0278","","","0.0465","0.05","","","","","","1.017","","","","has coordinates,has disorder","223614","2020-10-21","18:00:00",""
"7232810","11.686","0.0006","15.9703","0.0009","16.7415","0.0009","90","","90.246","0.002","90","","3124.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Tb -","- C24 H19 Br4 N4 O11 Tb -","- C96 H76 Br16 N16 O44 Tb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0613","0.0355","","","0.0597","0.0666","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232815","10.7442","0.0017","12.3398","0.0019","12.8388","0.0018","66.107","0.005","78.733","0.006","82.276","0.006","1523.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","1","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1234","0.061","","","0.1311","0.1775","","","","","","1.073","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232816","6.3774","0.0004","17.5788","0.0011","22.2159","0.0016","90","","93.83","0.007","90","","2485","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0669","0.0456","","","0.0996","0.1083","","","","","","1.068","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232818","21.3071","0.0014","17.9878","0.001","19.088","0.0011","90","","96.875","0.007","90","","7263.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Co4 N12 O14 -","- C54 H38 Co4 N12 O14 -","- C216 H152 Co16 N48 O56 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0825","0.0558","","","0.1386","0.1487","","","","","","1.031","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232819","10.9672","0.0006","17.424","0.0011","11.3309","0.0006","90","","90.75","0.006","90","","2165.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C88 H88 Co4 N16 O24 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.709317","MOKα","","0.1606","0.1231","","","0.2855","0.2999","","","","","","1.2","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232823","4.531","0.0007","11.5783","0.0001","15.7188","0.0002","90","","93.69","0.01","90","","822.92","0.13","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theophylline","1,3-dimethylxanthine","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Larsen, Anders S.; Olsen, Mark A.; Moustafa, Hadeel; Larsen, Flemming H.; Sauer, Stephan P. A.; Rantanen, Jukka; Madsen, Anders Ø.","Determining short-lived solid forms during phase transformations using molecular dynamics","CrystEngComm","2019","21","27","4020","","10.1039/C9CE00460B","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","8","","","","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232837","6.4179","0.0005","7.4575","0.0005","10.8598","0.0008","74.881","0.005","74.297","0.005","88.026","0.006","482.68","0.06","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","1","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0902","0.0579","","","0.1584","0.1748","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232838","8.9135","0.0017","14.392","0.003","6.7544","0.0014","90","","110.499","0.004","90","","811.6","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0779","0.0556","","","0.1599","0.1751","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232845","12.0058","0.0009","3.7726","0.0006","24.477","0.003","90","","93.046","0.011","90","","1107.1","0.2","294","2","294","1","","","","","","","","5","I 1 a 1","I -2ya","9","CmmCl","3-Chlorophenyl-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1426","0.0808","","","0.1828","0.233","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232848","3.8471","0.0004","11.6218","0.0019","12.467","0.002","108.261","0.015","90.417","0.011","95.461","0.011","526.52","0.14","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopF","4-Fluorophenyl-N-2-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0823","0.0456","","","0.0962","0.1144","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232849","3.8776","0.0009","11.481","0.004","13.085","0.005","105.84","0.03","90.64","0.02","92.82","0.02","559.5","0.3","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopCl","4-Chlorophenyl-N-2-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C24 H18 Cl2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1604","0.0787","","","0.1726","0.2243","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232850","11.349","0.006","3.9443","0.0016","26.137","0.008","90","","101.34","0.05","90","","1147.2","0.9","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CopBr","4-Bromophenyl-N-2-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","x-ray","1.54184","CuKα","","0.0927","0.0702","","","0.1876","0.2152","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232858","12.657","0.015","5.606","0.007","13.836","0.016","90","","93.939","0.012","90","","979","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IIb","Phenyl pyrazine-2-carboxylate (IIb)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0675","0.0556","","","0.148","0.1583","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232859","7.994","0.015","6.095","0.012","20.94","0.04","90","","94.2","0.02","90","","1018","3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ib","Phenyl pyridine-2-carboxylate (Ib)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.1675","0.1266","","","0.3342","0.3771","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00",""
"7232872","4.9159","0.0007","8.8894","0.0018","9.226","0.003","111.71","0.02","103.03","0.02","90.97","0.01","362.68","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C8 H12 F12 O4 -","4","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0736","0.0478","","","0.1267","0.143","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232876","7.1314","0.0002","10.4809","0.0002","16.7109","0.0004","80.5779","0.0012","86.4941","0.0012","79.2821","0.0012","1210.08","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0927","0.047","","","0.1064","0.1246","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232877","6.7109","0.0004","9.4367","0.0012","16.2988","0.0017","77.132","0.009","84.534","0.007","81.962","0.009","994.17","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0857","0.0651","","","0.1406","0.1526","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232878","6.7888","0.0003","9.6045","0.0011","16.3703","0.0016","77.764","0.008","84.858","0.006","81.297","0.008","1029.3","0.17","297","","297","","","","","","","","","6","P -1","-P 1","2","","?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0839","0.0639","","","0.1519","0.1627","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232879","6.7561","0.0003","9.5308","0.0011","16.3385","0.0016","77.508","0.008","84.71","0.006","81.556","0.008","1014.02","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0847","0.0638","","","0.145","0.1569","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232880","6.9301","0.0004","9.942","0.0007","16.514","0.003","79.013","0.011","85.441","0.01","80.339","0.005","1099.8","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0953","0.0591","","","0.1257","0.1487","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232881","7.0133","0.0006","10.155","0.002","16.607","0.003","79.683","0.014","85.829","0.011","79.844","0.014","1144.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.1067","0.0657","","","0.1439","0.1662","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232882","6.6623","0.0003","9.3453","0.0011","16.2637","0.0015","76.764","0.008","84.331","0.006","82.375","0.008","974.52","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0893","0.0671","","","0.1714","0.1864","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232884","6.874","0.002","10.174","0.004","9.995","0.003","98.32","0.03","94.13","0.03","90.84","0.03","689.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0599","0.0457","","","0.1029","0.1117","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232885","6.862","0.004","9.864","0.005","9.939","0.005","95.54","0.03","93.89","0.03","92.28","0.03","667.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0516","0.0408","","","0.0984","0.106","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232892","4.7678","0.0005","11.4567","0.0014","15.8287","0.0017","96.008","0.004","95.799","0.004","91.296","0.004","854.98","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Mn N4 O9 -","- C14 H15 Mn N4 O9 -","- C28 H30 Mn2 N8 O18 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0539","0.0388","","","0.0845","0.0899","","","","","","1.062","","","","has coordinates","223502","2020-10-21","18:00:00",""
"7232893","4.7674","0.0005","15.2901","0.0014","15.8525","0.0015","82.467","0.004","89.755","0.004","87.662","0.004","1144.63","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Mn N5 O9.5 -","- C17 H21 Mn N5 O9.5 -","- C34 H42 Mn2 N10 O19 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0507","0.04","","","0.1092","0.1139","","","","","","1.09","","","","has coordinates,has disorder","223502","2020-10-21","18:00:00",""
"7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232896","13.7","0.004","5.4468","0.0008","7.8567","0.0011","90","","98.401","0.018","90","","580","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","0.56086","AgKα","","0.0616","0.0362","","","0.073","0.0898","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232897","13.6132","0.0007","14.5917","0.0008","6.2617","0.0003","90","","95.935","0.002","90","","1237.16","0.11","224","","224","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","1.54178","CuKα","","0.0544","0.0511","","","0.1523","0.1557","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00",""
"7232899","12.2512","0.001","18.0542","0.0015","20.8644","0.0015","90","","96.61","0.007","90","","4584.2","0.6","102","2","102","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cu F3 N4 O4 P2 S -","- C52 H42 Cu F3 N4 O4 P2 S -","- C208 H168 Cu4 F12 N16 O16 P8 S4 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0945","0.083","","","0.1711","0.1774","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232900","10.139","0.0011","10.9355","0.0012","19.6442","0.0018","88.137","0.002","75.352","0.001","83.427","0.002","2093.4","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 Cu F3 N4 O4 P2 S -","- C43 H38 Cu F3 N4 O4 P2 S -","- C86 H76 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0855","0.05","","","0.1113","0.1218","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232902","13.0082","0.0012","23.906","0.002","26.452","0.003","90","","101.248","0.003","90","","8067.9","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C320 H240 Cu8 F24 N32 O24 P16 S8 -","4","0.5","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1116","0.0569","","","0.1328","0.1477","","","","","","1.097","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232903","10.7793","0.0005","14.5171","0.0005","17.3228","0.0006","74.306","0.003","79.899","0.003","70.639","0.004","2451.12","0.18","103.7","","103.7","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cu F3 N4 O4 P2 S -","- C56 H44 Cu F3 N4 O4 P2 S -","- C112 H88 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0392","0.0328","","","0.072","0.0752","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232904","35.509","0.007","14.305","0.003","17.104","0.003","90","","100.7","0.03","90","","8537","3","104","2","104","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu F3 N4 O4 P2 S -","- C47 H40 Cu F3 N4 O4 P2 S -","- C376 H320 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1491","0.1324","","","0.3116","0.3231","","","","","","1.09","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232905","10.2578","0.0003","12.8635","0.0004","19.4889","0.0005","73.352","0.002","83.084","0.002","87.362","0.003","2445.68","0.12","109.8","","109.8","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cu F3 N4 O4 P2 S -","- C54 H40 Cu F3 N4 O4 P2 S -","- C108 H80 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0735","0.0654","","","0.1453","0.1483","","","","","","1.241","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232906","10.8914","0.0004","12.2427","0.0003","19.074","0.0007","94.343","0.002","92.474","0.003","106.148","0.003","2430.49","0.15","102.3","","102.3","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H42 Cu F3 N4 O5 P2 S -","- C56 H42 Cu F3 N4 O5 P2 S -","- C112 H84 Cu2 F6 N8 O10 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine–Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0515","0.0434","","","0.1069","0.1119","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232907","27.738","0.002","16.393","0.0014","27.278","0.003","90","","110.478","0.004","90","","11619.7","1.8","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cu F3 N4 O4 P2 S -","- C58 H42 Cu F3 N4 O4 P2 S -","- C464 H336 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1322","0.0811","","","0.228","0.2468","","","","","","1.095","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232908","10.698","0.0007","12.5061","0.0005","19.6636","0.001","83.046","0.004","77.092","0.005","70.657","0.005","2416.4","0.2","104.2","","104.2","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H36 Cu F3 N4 O6 P2 S -","- C53 H40 Cu F3 N4 O6 P2 S -","- C106 H80 Cu2 F6 N8 O12 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0705","0.0594","","","0.1588","0.1681","","","","","","1.03","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232909","20.4193","0.001","9.8047","0.0005","26.0036","0.0012","90","","105.963","0.002","90","","5005.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H55 Cl N9 -","- C62 H55 Cl N9 -","- C248 H220 Cl4 N36 -","4","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine–pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54178","CuKα","","0.0499","0.0417","","","0.1003","0.1084","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232910","15.372","0.003","21.287","0.004","21.861","0.004","96.32","0.03","103.33","0.03","95.65","0.03","6861","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H166 Cl4 N22 O12 -","- C146 H159.654 Cl4 N22 O12 -","- C292 H319.308 Cl8 N44 O24 -","2","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54184","CuKα","","0.098","0.0836","","","0.211","0.2249","","","","","","1.008","","","","has coordinates,has disorder","223573","2020-10-21","18:00:00",""
"7232919","7.2364","0.0008","13.684","0.002","15.767","0.002","71.515","0.013","83.596","0.01","81.899","0.011","1462.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N6 O6 S -","- C30 H27 Cl N6 O6 S -","- C60 H54 Cl2 N12 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1017","0.055","","","0.1097","0.1293","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232920","7.3032","0.0005","14.0521","0.0008","15.9432","0.0011","69.237","0.002","81.657","0.002","77.712","0.002","1490.51","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl N5 O7 S -","- C31 H30 Cl N5 O7 S -","- C62 H60 Cl2 N10 O14 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0781","0.0506","","","0.1368","0.1504","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232921","7.1077","0.0007","14.4856","0.0013","16.6126","0.0015","105.468","0.003","98.006","0.003","103.645","0.003","1564.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","CNX-PXC-EA","","","- C32 H32 Cl N5 O8 S -","- C32 H32 Cl N5 O8 S -","- C64 H64 Cl2 N10 O16 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0789","0.0547","","","0.124","0.1339","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232922","7.2799","0.0005","13.8946","0.0011","16.4922","0.0013","68.131","0.007","82.312","0.006","81.865","0.006","1526.6","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl4 N5 O6 S -","- C29 H25 Cl4 N5 O6 S -","- C58 H50 Cl8 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1175","0.0579","","","0.1186","0.146","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232923","7.2499","0.0002","13.7111","0.0006","15.8281","0.0007","71.255","0.004","85.172","0.003","83.669","0.003","1478.85","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl3 N5 O6 S -","- C29 H26 Cl3 N5 O6 S -","- C58 H52 Cl6 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0625","0.0481","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232924","6.6108","0.0005","9.5147","0.0007","17.1651","0.001","96.283","0.005","95.365","0.005","103.343","0.006","1036.32","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O7 -","- C25 H18 N2 O7 -","- C50 H36 N4 O14 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0995","0.0569","","","0.1309","0.1535","","","","","","0.978","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232925","10.1503","0.0003","11.2758","0.0003","35.8393","0.0011","90","","93.409","0.003","90","","4094.6","0.2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 N7 O13 -","- C49 H37 N7 O13 -","- C196 H148 N28 O52 -","4","0.5","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0888","0.0567","","","0.1308","0.1532","","","","","","1.047","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232926","8.6941","0.0002","10.2148","0.0003","17.2379","0.0004","99.498","0.002","90.396","0.002","97.114","0.002","1497.68","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Br2 N2 O6 -","- C39 H22 Br2 N2 O6 -","- C78 H44 Br4 N4 O12 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0726","0.064","","","0.1625","0.1691","","","","","","1.12","","","","has coordinates,has disorder","223469","2020-10-21","18:00:00",""
"7232930","9.6733","0.0005","10.7702","0.0005","12.5821","0.0006","67.115","0.001","68.089","0.001","86.267","0.001","1115.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O9 Zn -","- C26 H16 N2 O9 Zn -","- C52 H32 N4 O18 Zn2 -","2","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0282","0.0263","","","0.0697","0.0711","","","","","","1.033","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232931","26.409","0.004","9.7523","0.0012","20.678","0.003","90","","105.007","0.005","90","","5144","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd N2 O10 -","- C28 H17 Cd N2 O10 -","- C224 H136 Cd8 N16 O80 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0418","0.0287","","","0.0586","0.0629","","","","","","1.062","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232932","30.4083","0.0018","11.8333","0.0007","15.7632","0.0009","90","","120.286","0.002","90","","4897.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C208 H128 Cd8 N16 O72 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0303","0.0252","","","0.063","0.066","","","","","","1.092","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00",""
"7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00",""
"7232936","8.7972","0.0004","9.6008","0.0005","24.5152","0.0017","90","","99.503","0.005","90","","2042.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EPTD","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C96 H96 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0664","0.0466","","","0.1024","0.1156","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232937","8.611","0.0007","7.4213","0.0005","27.8297","0.0019","90","","91.341","0.006","90","","1778","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0567","0.0416","","","0.0831","0.0931","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232938","11.2305","0.0006","11.8596","0.0006","14.125","0.0007","102.649","0.004","93.485","0.004","99.072","0.005","1803.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","EPTD-Y","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","1","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0701","0.0502","","","0.0984","0.1093","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232939","10.4791","0.0005","13.3723","0.0007","25.4654","0.0013","90","","91.115","0.002","90","","3567.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)","","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0543","0.0379","","","0.0905","0.1003","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232940","10.3099","0.0003","13.3066","0.0004","25.6537","0.0008","90","","91.686","0.001","90","","3517.9","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: aniline (1:1)","","","- C46 H37 N3 S2 -","- C46 H37 N3 S2 -","- C184 H148 N12 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0634","0.0444","","","0.106","0.1166","","","","","","1.024","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232941","8.7675","0.0007","8.7903","0.0007","13.7121","0.0011","72.461","0.004","76.622","0.004","67.418","0.004","922.33","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N,N-dimethylaniline (1:1)","","","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0852","0.0513","","","0.1106","0.1279","","","","","","1.044","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232942","9.1545","0.0005","14.6714","0.0007","15.1254","0.0008","109.272","0.002","92.888","0.002","97.644","0.002","1890.93","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: cumene (1:1)","","","- C49 H44 N2 O2 -","- C49 H44 N2 O2 -","- C98 H88 N4 O4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0868","0.0667","","","0.1855","0.2038","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232943","10.5138","0.0007","13.5904","0.0009","13.7298","0.0009","84.174","0.003","86.227","0.003","70.04","0.003","1833.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: N-methylaniline (1:1)","","","- C47 H41 N3 S2 -","- C47 H41 N3 S2 -","- C94 H82 N6 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0476","0.0364","","","0.0897","0.0972","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232944","8.9265","0.0004","9.1183","0.0004","12.5759","0.0005","92.594","0.002","107.264","0.002","111.066","0.002","898.81","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water","","","- C47 H41 N3 O2.41 -","- C47 H41 N3 O2.406 -","- C47 H41 N3 O2.406 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0455","0.0404","","","0.1084","0.114","","","","","","1.033","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232945","5.1874","0.0004","34.715","0.003","18.1886","0.0015","90","","90.275","0.002","90","","3275.4","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N8 Ni2 O13 -","- C24 H38 N8 Ni2 O13 -","- C96 H152 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1168","0.0806","","","0.1946","0.211","","","","","","1.142","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232946","20.212","0.011","22.656","0.011","16.048","0.008","90","","121.342","0.01","90","","6276","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 N8 Ni6 O25 -","- C56 H64 N8 Ni6 O25 -","- C224 H256 N32 Ni24 O100 -","4","0.5","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1349","0.0617","","","0.1596","0.2121","","","","","","1.008","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232947","13.838","0.004","29.26","0.009","14.867","0.004","90","","116.548","0.004","90","","5385","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N8 Ni4 O17 -","- C43 H52 N8 Ni4 O17 -","- C172 H208 N32 Ni16 O68 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1299","0.0924","","","0.2634","0.2922","","","","","","1.087","","","","has coordinates,has disorder","223675","2020-10-21","18:00:00",""
"7232948","22.233","0.004","7.3217","0.0014","23.045","0.004","90","","101.296","0.004","90","","3678.7","1.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N8 Ni2 O13 -","- C32 H44 N8 Ni2 O13 -","- C128 H176 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.0448","0.038","","","0.0947","0.099","","","","","","1.115","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232953","8.5321","0.001","9.2554","0.001","9.75","0.0008","104.633","0.008","91.429","0.008","102.163","0.009","725.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C26 H30 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0888","0.0647","","","0.1651","0.1867","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232954","9.666","0.0007","10.5577","0.0008","13.3682","0.0011","90","","97.575","0.007","90","","1352.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0875","0.0542","","","0.1249","0.1468","","","","","","1.046","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232956","8.534","0.002","9.25","0.002","9.752","0.002","104.72","0.02","90.99","0.02","102.03","0.02","726.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 D2 F4 N O4 -","- C13 H13 D2 F4 N O4 -","- C26 H26 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1399","0.0886","","","0.2482","0.3181","","","","","","1.025","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232957","8.4644","0.0005","9.7485","0.0015","12.6644","0.0013","69.875","0.013","74.399","0.007","79.718","0.009","940.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F4 N O4 -","- C17 H23 F4 N O4 -","- C34 H46 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0994","0.0571","","","0.1247","0.1586","","","","","","1.038","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232958","9.6384","0.0015","7.9971","0.0014","15.099","0.003","90","","99.642","0.017","90","","1147.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F4 N O4 -","- C10 H9 F4 N O4 -","- C40 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0825","0.0548","","","0.1335","0.1602","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232960","9.6564","0.0006","10.5717","0.0008","13.3865","0.0009","90","","97.686","0.006","90","","1354.28","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0773","0.0524","","","0.122","0.1404","","","","","","1.043","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232961","9.6821","0.0009","8.0228","0.0009","15.0539","0.0014","90","","99.715","0.009","90","","1152.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 D3 F4 N O4 -","- C10 H6 D3 F4 N O4 -","- C40 H24 D12 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0717","0.0534","","","0.1357","0.1509","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232963","9.7554","0.0005","14.2346","0.0008","9.717","0.0005","90","","99.127","0.004","90","","1332.26","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.073","0.0493","","","0.1135","0.1313","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232964","8.4573","0.0012","9.7338","0.0014","12.66","0.002","69.848","0.014","74.392","0.013","79.621","0.012","937.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 D2 F4 N O4 -","- C17 H21 D2 F4 N O4 -","- C34 H42 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.087","0.0532","","","0.1177","0.1387","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232965","9.5943","0.0008","20.769","0.002","6.8719","0.0006","90","","94.423","0.008","90","","1365.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O4 -","- C12 H13 F4 N O4 -","- C48 H52 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0958","0.0632","","","0.1394","0.1575","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232968","9.6026","0.0009","17.6586","0.0015","9.0164","0.001","90","","110.17","0.011","90","","1435.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O5 -","- C12 H13 F4 N O5 -","- C48 H52 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0885","0.0532","","","0.1124","0.1312","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232969","9.5797","0.0008","23.308","0.002","6.8151","0.0006","90","","94.216","0.008","90","","1517.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 D4 F4 N O4 -","- C13 H11 D4 F4 N O4 -","- C52 H44 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0945","0.0614","","","0.1337","0.1522","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232970","9.5893","0.0009","23.36","0.003","6.8268","0.0007","90","","94.249","0.008","90","","1525","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C52 H60 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1014","0.0606","","","0.1311","0.1559","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232971","9.6156","0.0018","17.699","0.003","9.019","0.002","90","","110.26","0.02","90","","1439.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O5 -","- C12 H9 D4 F4 N O5 -","- C48 H36 D16 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.105","0.0544","","","0.1036","0.1299","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232972","7.1303","0.0006","17.4758","0.0013","9.7449","0.0007","90","","102.38","0.008","90","","1186.05","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0776","0.0545","","","0.1188","0.1366","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232973","9.7549","0.0006","14.2234","0.0008","9.7356","0.0005","90","","99.178","0.005","90","","1333.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0634","0.0456","","","0.1073","0.1169","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232975","9.5827","0.0015","20.741","0.003","6.8689","0.001","90","","94.476","0.013","90","","1361.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O4 -","- C12 H9 D4 F4 N O4 -","- C48 H36 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1276","0.0747","","","0.1737","0.2123","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232976","7.1345","0.0005","17.4678","0.0013","9.7338","0.0007","90","","102.264","0.007","90","","1185.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O–H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0788","0.0523","","","0.1183","0.1392","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232978","3.64403","0.00018","13.81346","0.00076","13.1192","0.0011","90","","98.5316","0.0067","90","","653.07","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","","- C12 H8 Cl2 Fe N4 -","- C12 H8 Cl2 Fe N4 -","- C24 H16 Cl4 Fe2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6997","1.525","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232979","3.702978","0.000044","15.43091","0.00037","11.57802","0.00031","90","","91.4375","0.0016","90","","661.36","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)manganat(II)","catena-bis-chloro-di(3-cyanopyridine)manganat(II)","","- C12 H8 Cl2 Mn N4 -","- C12 H8 Cl2 Mn N4 -","- C24 H16 Cl4 Mn2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01167","1.156","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232982","3.75604","0.0001","13.46533","0.00029","13.04425","0.00051","90","","97.3466","0.0032","90","","654.31","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-di(3-cyanopyridine)cuprat(II)","catena-dichloro-di(3-cyanopyridine)cuprat(II)","","- C12 H8 Cl2 Cu N4 -","- C12 H8 Cl2 Cu N4 -","- C24 H16 Cl4 Cu2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.9634","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232983","3.775299","0.000081","13.9311","0.00036","15.68492","0.0003","90","","96.1139","0.0029","90","","820.24","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-(3-cyanopyridine)cuprat(II)","catena-dichloro-(3-cyanopyridine)cuprat(II)","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.0574","1.466","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232986","11.66192","0.00015","15.07309","0.00018","8.057182","0.000098","90","","91.0111","0.00086","90","","1416.08","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Beta-dichlorido-di(3-cyanopyridine)zinc","Beta-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00868","1.323","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232997","7.5895","0.0008","9.8629","0.001","14.7226","0.0017","90","","95.149","0.004","90","","1097.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N8 O4 -","- C9 H6 N8 O4 -","- C36 H24 N32 O16 -","4","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1335","0.0599","","","0.0994","0.1241","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232998","7.0409","0.0014","10.232","0.002","19.848","0.004","87.614","0.005","85.009","0.005","82.298","0.005","1411","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N16 O15 -","- C16 H23 Cl N16 O15 -","- C32 H46 Cl2 N32 O30 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1482","0.0823","","","0.2","0.2536","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232999","7.773","0.006","9.309","0.008","10.386","0.008","77.691","0.017","78.764","0.017","87.961","0.018","720.2","1","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N9 O6 -","- C9 H8 Cl N9 O6 -","- C18 H16 Cl2 N18 O12 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.0799","0.0601","","","0.1697","0.1929","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233007","9.449","0.004","15.591","0.007","17.606","0.007","99.55","0.02","97.95","0.016","107.597","0.011","2388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1","1","","- C24 H18 Cl2 Hg N2 O4 -","- C24 H18 Cl2 Hg N2 O4 -","- C96 H72 Cl8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1122","0.0769","","","0.1548","0.176","","","","","","1.067","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233008","33.59","0.04","5.376","0.006","13.679","0.017","90","","112.928","0.013","90","","2275","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4","4","","- C22 H16 Cl2 Hg N4 O4 -","- C22 H16 Cl2 Hg N4 O4 -","- C88 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0513","0.0446","","","0.1091","0.1148","","","","","","1.149","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233009","9.436","0.005","15.89","0.01","17.648","0.01","99.93","0.03","97.67","0.02","107.083","0.017","2443","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2","2","","- C24 H18 Br2 Hg N2 O4 -","- C24 H18 Br2 Hg N2 O4 -","- C96 H72 Br8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1089","0.0785","","","0.1651","0.1828","","","","","","1.085","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233010","18.977","0.013","4.969","0.003","26.436","0.017","90","","97.967","0.008","90","","2469","3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","5","","- C22 H16 Br2 Hg N4 O4 -","- C22 H16 Br2 Hg N4 O4 -","- C88 H64 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0638","0.054","","","0.1149","0.121","","","","","","1.095","","","","has coordinates,has disorder","223527","2020-10-21","18:00:00",""
"7233011","22.181","0.007","10.916","0.003","27.34","0.007","90","","127.333","0.018","90","","5264","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","3","","- C24 H18 Hg I2 N2 O4 -","- C24 H18 Hg I2 N2 O4 -","- C192 H144 Hg8 I16 N16 O32 -","8","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0605","0.0493","","","0.1179","0.1247","","","","","","1.109","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233012","4.8756","0.001","9.889","0.002","14.245","0.003","85.77","0.03","88.56","0.03","80.94","0.03","676.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C15 H8 F6 N3 -","- C15 H8 F6 N3 -","- C30 H16 F12 N6 -","2","1","","Constantinides, Christos P.; Lawson, Daniel B.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Koutentis, Panayiotis A.","Ferromagnetic interactions in a 1D Heisenberg linear chain of 1-phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yls","CrystEngComm","2019","21","31","4599","","10.1039/C9CE00739C","","","1.54184","CuKα","","0.1545","0.1359","","","0.401","0.4092","","","","","","1.098","","","","has coordinates,has disorder","223676","2020-10-21","18:00:00",""
"7233013","7.457","0.005","7.942","0.007","11.259","0.007","71.93","0.06","74.01","0.04","89.57","0.07","607.2","0.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0726","0.0454","","","0.118","0.1323","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233014","7.699","0.0017","8.464","0.008","10.046","0.004","85.13","0.05","83.78","0.03","89.63","0.04","648.4","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0745","","","","0.2404","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233015","7.659","0.008","8.117","0.006","23.27","0.03","90","","96.74","0.08","90","","1437","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S6 -","- C32 H26 N2 S6 -","- C64 H52 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0556","","","","0.1656","","","","","","0.927","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233016","8.64","0.008","9.63","0.005","9.702","0.005","107.84","0.04","108.51","0.05","101.57","0.06","687.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0755","","","","0.2391","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233017","7.564","0.003","7.574","0.006","22.841","0.011","90","","96.9","0.03","90","","1299.1","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S6 -","- C28 H24 N2 S6 -","- C56 H48 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0584","0.0401","","","0.104","0.1144","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233018","7.506","0.004","7.856","0.007","10.872","0.004","69.79","0.05","76.82","0.04","89.71","0.06","583.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.055","","","","0.1732","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233019","7.541","0.006","8.263","0.006","11.632","0.007","70.08","0.05","75.07","0.06","89.43","0.06","656","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.1258","0.053","","","0.1264","0.1543","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233020","7.317","0.004","7.754","0.014","11.041","0.005","104.81","0.07","101.31","0.04","91.4","0.09","592","1.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2946","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233021","7.365","0.003","8.101","0.008","12.063","0.004","88.18","0.06","82.11","0.03","83.41","0.06","708.1","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2326","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233022","7.271","0.003","9.426","0.009","11.546","0.006","67.88","0.05","74.83","0.04","79.16","0.05","704","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0538","","","","0.1582","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233023","7.326","0.003","8.145","0.004","11.233","0.004","92.52","0.03","103.51","0.03","97.61","0.04","644","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0767","","","","0.2532","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00",""
"7233028","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","223515","2020-10-21","18:00:00",""
"7233037","5.5006","0.0008","5.8258","0.0008","6.5611","0.0009","76.395","0.002","67.816","0.002","79.145","0.002","188.07","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0412","0.0385","","","0.1024","0.1049","","","","","","1.055","","","","has coordinates,has disorder","223530","2020-10-21","18:00:00",""
"7233038","7.439","0.002","8.215","0.002","8.298","0.002","97.332","0.004","104.578","0.004","104.053","0.004","466.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.067","0.0555","","","0.1517","0.1594","","","","","","1.109","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233039","5.654","0.003","5.802","0.003","6.648","0.003","76.505","0.008","66.44","0.007","79.984","0.008","193.59","0.17","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0496","0.0417","","","0.1165","0.1242","","","","","","1.053","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233040","8.2527","0.0013","6.6341","0.001","15.034","0.002","90","","99.847","0.002","90","","811","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0382","0.034","","","0.1012","0.1046","","","","","","1.095","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233050","9.3","0.0008","9.3023","0.0008","11.3137","0.001","94.166","0.007","108.407","0.008","96.344","0.007","916.98","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","1","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0776","0.0673","","","0.1822","0.1899","","","","","","1.079","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233051","8.8991","0.0003","13.0969","0.0004","19.863","0.0006","90","","90.033","0.003","90","","2315.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl4 N2 O3 Zn2 -","- C49 H48 Cl4 N2 O3 Zn2 -","- C98 H96 Cl8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0326","0.03","","","0.077","0.0787","","","","","","1.04","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233052","17.659","0.004","15.216","0.003","6.9834","0.0012","90","","94.06","0.02","90","","1871.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 Zn -","- C19 H18 Cl2 N2 O3 Zn -","- C76 H72 Cl8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.1643","0.0982","","","0.2086","0.2361","","","","","","1.063","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233053","11.8909","0.0007","12.6582","0.0007","25.0471","0.0016","90","","98.073","0.006","90","","3732.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 N4 O6 Zn -","- C38 H37 Cl3 N4 O6 Zn -","- C152 H148 Cl12 N16 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0624","0.0422","","","0.0938","0.102","","","","","","1.04","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233054","10.1512","0.0003","12.0717","0.0004","21.8754","0.0007","84.876","0.003","77.406","0.002","65.333","0.003","2377.43","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","","- C22 H26 Br2 N O3 Zn -","- C22 H26 Br2 N O3 Zn -","- C88 H104 Br8 N4 O12 Zn4 -","4","2","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.063","0.0567","","","0.1558","0.1657","","","","","","1.052","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233055","8.289","0.0005","21.5395","0.0016","12.2257","0.0011","90","","97.748","0.007","90","","2162.9","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N O2 Zn -","- C19 H22 Cl3 N O2 Zn -","- C76 H88 Cl12 N4 O8 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.1045","0.0651","","","0.1083","0.1217","","","","","","1.084","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233056","8.8651","0.00016","14.8667","0.0004","15.2523","0.0005","113.831","0.003","94.587","0.002","91.7161","0.0019","1828.62","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","","- C38 H36 Cl2 N4 O6 Zn -","- C38 H36 Cl2 N4 O6 Zn -","- C76 H72 Cl4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0393","0.0369","","","0.1015","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233057","12.388","0.006","13.671","0.007","14.855","0.008","108.02","0.05","101.2","0.04","101.01","0.04","2260","2","293","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl4 N4 O12 Zn2 -","- C38 H36 Cl4 N4 O12 Zn2 -","- C76 H72 Cl8 N8 O24 Zn4 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.2868","0.1182","","","0.2032","0.247","","","","","","1.074","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233058","8.9744","0.00014","12.9849","0.0002","20.5608","0.0003","90","","91.4476","0.0014","90","","2395.22","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) tetrabromide acetone solvate","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) propan-2-one tetrabromide","","- C49 H48 Br4 N2 O3 Zn2 -","- C49 H48 Br4 N2 O3 Zn2 -","- C98 H96 Br8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0405","0.0352","","","0.0908","0.0961","","","","","","1.037","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233060","17.517","0.007","15.29","0.004","7.252","0.002","90","","92.47","0.03","90","","1940.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 N2 O3 Zn -","- C19 H18 Br2 N2 O3 Zn -","- C76 H72 Br8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.2563","0.1949","","","0.3823","0.4257","","","","","","1.439","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233062","14.4022","0.0007","13.0338","0.0006","26.6165","0.0016","90","","99.77","0.006","90","","4923.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br4 N7 O6 Zn2 -","- C44 H45 Br4 N7 O6 Zn2 -","- C176 H180 Br16 N28 O24 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0632","0.0458","","","0.1028","0.1101","","","","","","1.06","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233063","9.1737","0.0006","14.969","0.0014","15.421","0.002","116.717","0.011","98.405","0.008","89.487","0.007","1867.4","0.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br2 N4 O6 Zn -","- C38 H36 Br2 N4 O6 Zn -","- C76 H72 Br4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0611","0.0416","","","0.0873","0.0949","","","","","","1.038","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233064","11.6156","0.0011","13.0124","0.0006","14.0058","0.0014","77.862","0.006","76.661","0.008","87.03","0.006","2013.8","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 Co N4 O7 -","- C38 H40 Cl4 Co N4 O7 -","- C76 H80 Cl8 Co2 N8 O14 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0632","","","0.1293","0.144","","","","","","1.041","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233065","11.9195","0.0009","12.6137","0.0007","25.1143","0.0014","90","","97.136","0.006","90","","3746.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 Co N4 O6 -","- C38 H37 Cl3 Co N4 O6 -","- C152 H148 Cl12 Co4 N16 O24 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0547","","","0.0971","0.1128","","","","","","1.023","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233066","11.8302","0.0004","12.7363","0.0003","24.687","0.0009","90","","98.6","0.003","90","","3677.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.07 H39.68 Br2.46 N4 O6.54 Zn -","- C39.0728 H39.6824 Br2.464 N4 O6.5364 Zn -","- C156.291 H158.73 Br9.856 N16 O26.1456 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0681","0.0529","","","0.1249","0.1316","","","","","","1.047","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233069","10.2378","0.0011","10.1117","0.0009","13.0302","0.001","90","","92.895","0.005","90","","1347.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0588","0.0436","","","0.1258","0.145","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233070","16.1385","0.0017","4.7309","0.0005","15.7978","0.0017","90","","114.296","0.005","90","","1099.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0893","0.0602","","","0.1476","0.1743","","","","","","1.125","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233133","6.2281","0.0005","19.4672","0.0019","15.2664","0.0013","90","","95.993","0.008","90","","1840.8","0.3","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","x-ray","1.54184","CuKα","","0.0729","0.0533","","","0.1489","0.1692","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7233134","5.761","0.0012","9.921","0.002","16.902","0.003","75.2","0.03","88.4","0.03","74.52","0.03","899.3","0.4","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","1","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.1365","0.136","","","0.3838","0.3839","","","","","","1.224","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233135","16.234","0.003","11.13","0.002","12.499","0.003","90","","105.22","0.03","90","","2179.2","0.8","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu2 N2 O8 -","- C38 H46 Cu2 N2 O8 -","- C76 H92 Cu4 N4 O16 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.0325","0.0318","","","0.087","0.0876","","","","","","1.055","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233136","16.584","0.003","11.077","0.002","12.668","0.003","90","","107.26","0.03","90","","2222.3","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43.87 N2 O8 Zn2 -","- C38 H43.87 N2 O8 Zn2 -","- C76 H87.74 N4 O16 Zn4 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","Synchrotron","","0.1072","0.0851","","","0.1892","0.2078","","","","","","1.075","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233207","9.7993","0.0004","9.7993","0.0004","7.2938","0.0003","90","","90","","120","","606.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.952 O25.66 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Jesche, Anton; Seidler, Maximilian L.; Tafeenko, Victor A.; Eliseev, Andrey A.; Trusov, Lev A.; Jansen, Martin","Manifestation of strong magnetic and giant Raman anisotropy in single crystals of Cu for H substituted strontium hydroxyapatite","CrystEngComm","2019","21","33","4976","","10.1039/C9CE00923J","","x-ray","0.71073","MoKα","","0.0537","0.0262","","","0.0254","0.0278","","","","1.1","1.1","0.97","","","","has coordinates","223529","2020-10-21","18:00:00",""
"7233208","8.9341","0.0004","8.9659","0.0005","11.9315","0.0006","75.325","0.004","81.348","0.004","89.62","0.004","913.55","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","tenoxicam acetone solvate","","","- C16 H17 N3 O5 S2 -","- C16 H17 N3 O5 S2 -","- C32 H34 N6 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.0518","0.0378","","","0.0971","0.1079","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233210","9.1718","0.0003","8.9965","0.0003","21.1092","0.0008","90","","98.591","0.004","90","","1722.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tenoxicam acetonitrile solvat","","","- C15 H14 N4 O4 S2 -","- C15 H14 N4 O4 S2 -","- C60 H56 N16 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0613","0.0434","","","0.0934","0.1011","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233211","9.106","0.0004","9.4381","0.0004","11.6586","0.0006","74.53","0.004","77.5","0.004","85.545","0.003","942.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tenoxicam dimethylformamide solvate","","","- C16 H18 N4 O5 S2 -","- C16 H18 N4 O5 S2 -","- C32 H36 N8 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0585","0.0427","","","0.111","0.1227","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233212","13.579","0.003","10.135","0.002","14.88","0.003","90","","116.58","0.03","90","","1831.4","0.8","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform III solvate","","","- C14 H12 Cl3 N3 O4 S2 -","- C14 H12 Cl3 N3 O4 S2 -","- C56 H48 Cl12 N12 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0475","0.0424","","","0.108","0.1115","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233213","10.6019","0.0012","12.781","0.001","28.841","0.002","90","","92.076","0.01","90","","3905.5","0.6","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform I solvate","","","- C28 H24 Cl6 N6 O8 S4 -","- C28 H24 Cl6 N6 O8 S4 -","- C112 H96 Cl24 N24 O32 S16 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto–enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.2576","0.1163","","","0.3158","0.3957","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233231","12.1982","0.0009","12.6561","0.001","17.4615","0.0013","79.068","0.005","69.577","0.004","65.464","0.004","2295","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 O9 Sc -","- C15 H10 N5 O9 Sc -","- C60 H40 N20 O36 Sc4 -","4","2","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.1226","0.0527","","","0.1202","0.1355","","","","","","0.809","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233232","8.0179","0.0005","8.1281","0.0006","10.1235","0.0008","67.896","0.004","77.329","0.005","87.356","0.004","595.89","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C14 H10 N4 O16 Sc2 -","2","1","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.0371","0.0331","","","0.0944","0.0972","","","","","","1.072","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233233","14.5354","0.0008","6.9178","0.0004","15.7237","0.0008","90","","96.902","0.005","90","","1569.61","0.15","150","10","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 N4 O7 -","- C15 H12 F2 N4 O7 -","- C60 H48 F8 N16 O28 -","4","0.5","","Dai, Xia-Lin; Voronin, Alexander P.; Gao, Wei; Perlovich, German L.; Lu, Tong-Bu; Chen, Jia-Mei","Intermolecular interactions and permeability of 5-fluorouracil cocrystals with a series of isomeric hydroxybenzoic acids: a combined theoretical and experimental study","CrystEngComm","2019","21","34","5095","","10.1039/C9CE00661C","","x-ray","1.54184","CuKα","","0.0763","0.0592","","","0.1594","0.1806","","","","","","0.903","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233236","15.001","0.002","5.5536","0.0005","21.455","0.003","90","","95.23","0.002","90","","1780","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1321","0.0562","","","0.148","0.1973","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233243","10.5096","0.0006","10.9768","0.0004","12.5019","0.0006","104.759","0.004","107.34","0.005","97.38","0.004","1298.23","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0349","0.033","","","0.0938","0.0948","","","","","","1.1","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233244","10.4937","0.0006","10.9559","0.0004","12.5321","0.0006","104.652","0.004","107.923","0.004","97.114","0.004","1294.06","0.12","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0311","0.0295","","","0.0857","0.0866","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233245","10.5194","0.0006","10.9889","0.0004","12.5734","0.0006","104.589","0.004","108.172","0.005","96.992","0.004","1304.34","0.12","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0291","0.0276","","","0.0785","0.0792","","","","","","1.051","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233246","10.5156","0.0006","10.9858","0.0004","12.529","0.0006","104.707","0.004","107.578","0.005","97.265","0.004","1301.8","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0327","0.0309","","","0.0886","0.0896","","","","","","1.11","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233247","10.5121","0.0006","10.9835","0.0005","12.6782","0.0005","104.175","0.004","109.639","0.004","96.452","0.004","1305.96","0.12","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.028","0.0267","","","0.0735","0.0743","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233248","10.519","0.0006","10.9933","0.0005","12.6565","0.0005","104.317","0.004","109.262","0.004","96.536","0.004","1307.83","0.12","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0325","0.0313","","","0.0836","0.0846","","","","","","1.048","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233249","10.5964","0.001","11.0355","0.0007","12.9523","0.0013","102.131","0.007","112.002","0.009","97.133","0.006","1338.1","0.2","340","","340","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.045","0.0416","","","0.111","0.1132","","","","","","1.061","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233250","10.5333","0.0006","11.0035","0.0005","12.7511","0.0005","103.784","0.005","110.271","0.004","96.437","0.004","1315.34","0.12","280","","280","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0272","0.0259","","","0.0693","0.0698","","","","","","1.076","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233251","10.5256","0.0006","10.9947","0.0005","12.6032","0.0006","104.523","0.004","108.54","0.005","96.829","0.004","1306.91","0.13","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0444","0.043","","","0.1147","0.116","","","","","","0.999","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233252","10.5371","0.0006","11.0161","0.0005","12.7345","0.0005","104.005","0.005","109.918","0.004","96.448","0.004","1317.37","0.12","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0262","0.0249","","","0.07","0.0706","","","","","","1.081","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233253","10.5213","0.0005","10.9954","0.0005","12.6323","0.0005","104.438","0.004","108.872","0.004","96.664","0.004","1307.93","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.03","0.0288","","","0.0784","0.0792","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233254","10.5861","0.0008","11.0497","0.0006","12.8741","0.001","103.021","0.006","111.135","0.007","96.698","0.005","1335.67","0.19","320","","320","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0346","0.0324","","","0.0922","0.0937","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233255","10.5445","0.0007","11.0141","0.0006","12.786","0.0008","103.484","0.005","110.657","0.006","96.519","0.005","1319.52","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0303","0.0285","","","0.0774","0.0784","","","","","","1.084","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233256","10.6786","0.0015","11.0643","0.0014","13.078","0.003","98.788","0.014","113.593","0.018","99.692","0.011","1353.7","0.5","380","","380","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O11 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.1373","0.1222","","","0.2995","0.315","","","","","","1.189","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233257","10.661","0.0013","11.0866","0.0011","13.1016","0.0015","100.439","0.01","112.923","0.012","98.339","0.009","1362.3","0.3","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C19.01 H22.36 N2.34 O11.34 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.113","0.0996","","","0.2571","0.2788","","","","","","1.101","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233260","6.206","0.005","7.228","0.005","11.882","0.005","93.919","0.005","98.389","0.005","108.883","0.005","495.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 N12 O8 P0 S2 -","- C8 H20 N12 O8 S2 -","- C8 H20 N12 O8 S2 -","1","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0578","0.0471","","","0.1399","0.1483","","","","","","1.068","","","","has coordinates","288504","2023-12-22","13:56:47",""
"7233261","5.688","0.005","8.922","0.005","11.235","0.005","90","0.005","91.065","0.005","90","0.005","570.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 S2 -","- C6 H14 N2 O6 S2 -","- C12 H28 N4 O12 S4 -","2","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0555","0.0473","","","0.1234","0.1301","","","","","","1.147","","","","has coordinates","223532","2020-10-21","18:00:00",""
"7233262","9.8904","0.0002","22.5488","0.0005","20.4885","0.0004","90","","95.634","0.007","90","","4547.2","0.17","90","2","89.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C32 H60 Er N14 O9 W -","- C32 H60 Er N14 O9 W -","- C128 H240 Er4 N56 O36 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0764","0.0529","","","0.0975","0.105","","","","","","1.069","","","","has coordinates","223568","2020-10-21","18:00:00",""
"7233263","9.614","0.0008","18.1609","0.0012","25.5697","0.0018","90","","98.033","0.007","90","","4420.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C28 H51.5 Er N13 O11 W -","- C28 H51.5 Er N13 O11 W -","- C112 H206 Er4 N52 O44 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0924","0.0498","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233265","6.9129","0.0009","7.248","0.0009","14.7369","0.0019","76.471","0.005","81.089","0.005","64.077","0.005","644.49","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0703","0.0418","","","0.0966","0.1113","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233266","5.9287","0.0004","7.2856","0.0005","14.804","0.0009","97.067","0.002","95.028","0.002","112.098","0.002","581.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0409","0.0324","","","0.0766","0.0811","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233267","12.2519","0.0004","7.2378","0.0003","13.8051","0.0005","90","","112.02","0.001","90","","1134.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl4 F4 N4 -","- C22 H10 Cl4 F4 N4 -","- C44 H20 Cl8 F8 N8 -","2","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0356","0.031","","","0.0875","0.0922","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233268","5.9278","0.0009","7.2851","0.0011","15.889","0.003","97.953","0.005","97.431","0.005","111.124","0.004","621.86","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0638","0.039","","","0.0812","0.0903","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233269","9.4437","0.0018","12.112","0.002","12.277","0.002","89.884","0.006","79.464","0.007","68.789","0.006","1283.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0415","0.0307","","","0.0756","0.0796","","","","","","1.013","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233270","9.2538","0.0019","12.411","0.003","12.462","0.003","90.28","0.007","100.334","0.007","110.73","0.006","1313.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0545","0.0433","","","0.1049","0.1131","","","","","","1.043","","","","has coordinates,has disorder","223528","2020-10-21","18:00:00",""
"7233271","12.6345","0.0012","12.9723","0.0014","16.388","0.0017","75.775","0.003","85.999","0.003","75.114","0.002","2516.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N2 O12 Zn2 -","- C57 H46 N2 O12 Zn2 -","- C114 H92 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0943","0.0553","","","0.1193","0.1346","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233272","12.9","0.009","17.379","0.012","19.453","0.013","107.447","0.009","107.199","0.01","98.981","0.009","3828","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N2 O12 Zn2 -","- C64 H48 N2 O12 Zn2 -","- C128 H96 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.1206","0.0587","","","0.1614","0.2","","","","","","0.879","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233273","8.831","0.002","12.567","0.003","13.429","0.003","94.747","0.008","100.867","0.008","109.277","0.007","1364.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 N2.5 O6 Zn -","- C29 H22.5 N2.5 O6 Zn -","- C58 H45 N5 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.086","0.0514","","","0.1289","0.1484","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233274","9.0045","0.001","12.3297","0.0015","12.9229","0.0014","93.075","0.004","108.765","0.003","99.295","0.004","1332","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23.5 N1.5 O6 Zn -","- C31 H23.5 N1.5 O6 Zn -","- C62 H47 N3 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0521","0.0409","","","0.1094","0.1166","","","","","","1.077","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00",""
"7233276","7.4296","0.0002","8.7967","0.0003","10.0511","0.0003","105.965","0.001","95.073","0.001","109.261","0.001","584.48","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","1","0.5","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0315","0.0275","","","0.0646","0.0672","","","","","","1.0715","","","","has coordinates","223704","2020-10-21","18:00:00",""
"7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233279","7.536","0.0015","8.1498","0.0016","28.44","0.006","90","","94.9","0.03","90","","1740.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0732","0.0604","","","0.1486","0.16","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233280","10.827","0.002","7.5021","0.0015","21.322","0.004","90","","97.39","0.03","90","","1717.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.044","0.0372","","","0.0945","0.0991","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug–drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233294","7.7164","0.0007","9.6706","0.0009","11.0779","0.0011","68.296","0.001","83.965","0.003","85.654","0.003","763.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O8 Zn -","- C14 H14 N2 O8 Zn -","- C28 H28 N4 O16 Zn2 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","1.54178","CuKα","","0.0873","0.0576","","","0.1233","0.1446","","","","","","1.007","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233295","7.464","0.0007","10.1801","0.0009","13.3769","0.0011","70.626","0.001","77.55","0.003","74.234","0.001","913.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cd N2 O11 -","- C14 H20 Cd N2 O11 -","- C28 H40 Cd2 N4 O22 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","0.71073","MoKα","","0.1405","0.1106","","","0.2684","0.2841","","","","","","1.088","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233296","17.903","0.003","16.7851","0.0016","21.149","0.002","90","","96.467","0.004","90","","6314.9","1.4","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H25 Gd N4 O10 Zn -","- C49 H25 Gd N4 O10 Zn -","- C196 H100 Gd4 N16 O40 Zn4 -","4","1","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Goswami, Soumyabrata; Phukan, Nithi","Location controlled symmetry reduction: paradigm of an open metalloporphyrin framework based on the tetracarboxy porphyrin linker","CrystEngComm","2019","21","35","5216","","10.1039/C9CE01107B","","","0.71073","MoKα","","0.1528","0.0892","","","0.2385","0.2851","","","","","","1.061","","","","has coordinates","223702","2020-10-21","18:00:00",""
"7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233298","7.85","0.01","16.3","0.01","27.56","0.01","90","","91.9","0.01","90","","3525","5","293","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N12 -","- C38 H32 N12 -","- C152 H128 N48 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.3751","0.0714","","","0.1424","0.2477","","","","","","0.624","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233300","7.8491","0.0003","18.6184","0.0005","15.9194","0.0005","90","","99.823","0.003","90","","2292.32","0.13","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C100 H112 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1314","0.094","","","0.2666","0.2969","","","","","","1.085","","","","has coordinates,has disorder","223697","2020-10-21","18:00:00",""
"7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233302","8.0209","0.0003","21.4464","0.0006","11.1543","0.0003","90","","98.181","0.001","90","","1899.23","0.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu N10 O6 -","- C44 H32 Cu N10 O6 -","- C88 H64 Cu2 N20 O12 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0627","0.0447","","","0.0932","0.0995","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233303","8.7934","0.0011","14.5059","0.0017","12.1149","0.0014","90","","105.893","0.004","90","","1486.3","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N3 Zn -","- C16 H11 Cl2 N3 Zn -","- C64 H44 Cl8 N12 Zn4 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.08","0.0476","","","0.1018","0.1149","","","","","","1.032","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233304","11.9823","0.0004","13.3952","0.0005","21.6046","0.0008","90","","92.769","0.001","90","","3463.6","0.2","150","2","149.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C192 H132 N36 -","12","3","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.098","0.0533","","","0.1178","0.141","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233305","7.8817","0.0004","8.3565","0.0004","13.6764","0.0007","84.043","0.002","89.244","0.002","63.942","0.001","804.31","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cu N5 O6 -","- C16 H11 Cu N5 O6 -","- C32 H22 Cu2 N10 O12 -","2","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0378","0.0285","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233309","9.0282","0.0002","15.3282","0.0003","26.6329","0.0005","90.906","0.002","91.479","0.002","98.927","0.002","3639.03","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 In2 N2 O16 -","- C66 H38 In2 N2 O16 -","- C132 H76 In4 N4 O32 -","2","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","0.71073","MoKα","","0.0975","0.0907","","","0.2171","0.2203","","","","","","1.181","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233310","8.5776","0.0001","26.9064","0.0005","15.5158","0.0002","90","","91.233","0.001","90","","3580.1","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 In N2 O8 -","- C31 H25 In N2 O8 -","- C124 H100 In4 N8 O32 -","4","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0368","0.0346","","","0.1007","0.1022","","","","","","1.075","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233319","14.633","0.005","14.936","0.005","8.352","0.003","90","","104.445","0.005","90","","1767.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C68 H60 N12 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0645","0.0379","","","0.0862","0.0976","","","","","","1.008","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233320","11.4324","0.0016","11.544","0.003","11.2605","0.0016","90","","90.022","0.002","90","","1486.1","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 Ni O10 -","- C28 H22 N4 Ni O10 -","- C56 H44 N8 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0998","0.0551","","","0.1351","0.1602","","","","","","1.029","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233321","8.2076","0.0007","10.393","0.0009","10.7793","0.0009","89.31","0.001","68.817","0.001","79.981","0.001","842.99","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","1","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0392","0.0363","","","0.0957","0.0983","","","","","","1.03","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233322","11.8498","0.0005","23.5626","0.001","9.8007","0.0004","90","","113.262","0.001","90","","2514.02","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N8 Ni O8 -","- C54 H44 Cl2 N8 Ni O8 -","- C108 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0595","0.0418","","","0.0981","0.107","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233324","19.736","0.002","8.6412","0.0009","17.026","0.0017","90","","113.939","0.002","90","","2653.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 Ni O7 -","- C29 H26 N4 Ni O7 -","- C116 H104 N16 Ni4 O28 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.126","0.0553","","","0.0988","0.1235","","","","","","1.015","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233325","11.6915","0.0004","23.6757","0.0008","10.0123","0.0004","90","","109.32","0.001","90","","2615.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 N8 Ni O10 -","- C56 H50 N8 Ni O10 -","- C112 H100 N16 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.049","0.0389","","","0.0927","0.1018","","","","","","1.053","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233326","11.812","0.0005","12.7047","0.0005","11.6302","0.0005","90","","115.925","0.001","90","","1569.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 Ni O12 -","- C28 H36 N4 Ni O12 -","- C56 H72 N8 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.041","0.0342","","","0.1009","0.106","","","","","","1.003","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233327","10.296","0.002","13.49","0.003","22.862","0.004","90","","98.471","0.005","90","","3140.7","1.1","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 Ni O8 -","- C34 H26 N4 Ni O8 -","- C136 H104 N16 Ni4 O32 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1055","0.0543","","","0.1179","0.1387","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233328","7.9733","0.0007","13.0731","0.001","15.2385","0.0013","96.988","0.002","96.414","0.002","104.434","0.002","1510.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 Ni O12 -","- C28 H29 N5 Ni O12 -","- C56 H58 N10 Ni2 O24 -","2","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1082","0.0545","","","0.1078","0.1314","","","","","","1.001","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233329","12.803","0.009","4.63","0.003","13.233","0.009","90","","109.94","0.02","90","","737.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.048","0.0296","","","0.0612","0.0674","","","","","","1.028","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233330","8.2382","0.0014","8.6956","0.0014","11.674","0.002","83.844","0.006","70.803","0.005","79.456","0.005","775.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C28 H24 Cl8 O4 -","4","2","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0809","0.0585","","","0.1404","0.1599","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233331","7.182","0.004","14.93","0.009","15.398","0.009","107.741","0.018","97.263","0.018","100.108","0.019","1519.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C56 H48 Cl16 O8 -","8","4","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0777","0.048","","","0.1215","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233332","7.0731","0.0017","7.5134","0.0019","21.137","0.005","92.27","0.006","94.494","0.007","94.926","0.007","1114.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C42 H36 Cl12 O6 -","6","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0942","0.0513","","","0.1019","0.1206","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233334","4.2512","0.0009","14.458","0.003","13.5","0.003","90","","97.411","0.008","90","","822.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 O -","- C7 H6 Br2 O -","- C28 H24 Br8 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0703","0.0369","","","0.0711","0.0817","","","","","","1.051","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233337","14.6108","0.0006","17.6065","0.0009","31.2383","0.0016","90","","97.693","0.002","90","","7963.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Dy4 N15 O20.5 -","- C70 H75 Dy4 N13 O20 -","- C280 H300 Dy16 N52 O80 -","4","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1191","0.0655","","","0.1026","0.1135","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233338","57.391","0.003","13.9533","0.0006","24.8627","0.001","90","","115.263","0.001","90","","18005.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H93 Cl4 Dy2 Fe4 N16 O21.5 -","- C69 H71 Cl4 Dy2 Fe4 N11 O18 -","- C552 H568 Cl32 Dy16 Fe32 N88 O144 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1204","0.0695","","","0.1332","0.1492","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233345","13.2777","0.0011","16.2811","0.0014","14.0218","0.0012","90","","97.395","0.001","90","","3006","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu N11 O4 Tb -","- C27 H24 Cu N11 O4 Tb -","- C108 H96 Cu4 N44 O16 Tb4 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0327","0.0273","","","0.0723","0.0751","","","","","","1.032","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233346","13.244","0.011","16.166","0.014","14.029","0.012","90","","97.826","0.014","90","","2976","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Gd N11 O4 -","- C27 H24 Cu Gd N11 O4 -","- C108 H96 Cu4 Gd4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0815","0.049","","","0.0927","0.1031","","","","","","1.025","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233347","13.2179","0.0017","16.209","0.002","13.9594","0.0018","90","","97.364","0.002","90","","2966.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Dy N11 O4 -","- C27 H24 Cu Dy N11 O4 -","- C108 H96 Cu4 Dy4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0917","","","","","","0.987","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233348","8.1484","0.0006","11.1597","0.0009","12.1161","0.0009","64.235","0.003","87.836","0.003","81.558","0.003","981.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","1","0.5","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0319","0.0263","","","0.0779","0.0895","","","","","","1.171","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233349","10.5412","0.0004","14.2159","0.0006","16.8559","0.0006","71.294","0.001","88.816","0.001","86.636","0.001","2388.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C88 H86 Ag4 Cl4 N14 O16 P4 -","2","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0454","0.0395","","","0.1034","0.1141","","","","","","1.106","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233350","9.1529","0.0005","18.4467","0.001","20.8604","0.0013","90","","101.679","0.002","90","","3449.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C136 H112 Cl8 Cu8 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0308","0.0246","","","0.0726","0.0916","","","","","","1.021","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233351","9.2146","0.0004","22.3264","0.0011","20.6049","0.001","90","","102.501","0.002","90","","4138.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C144 H128 Ag8 Cl24 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0586","0.0421","","","0.1251","0.1417","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233356","6.885","0.0011","13.936","0.002","24.919","0.003","90","","102.6","0.005","90","","2333.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.108","0.0853","","","0.253","0.2734","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233357","8.9809","0.0006","7.3118","0.0005","38.083","0.003","90","","94.095","0.001","90","","2494.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0823","0.0858","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233358","7.234","0.002","9.378","0.003","35.927","0.011","89.798","0.006","88.075","0.006","87.452","0.006","2433.5","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O9 -","- C26 H21 N5 O9 -","- C104 H84 N20 O36 -","4","2","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1169","0.0746","","","0.168","0.1837","","","","","","1.121","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233359","13.6779","0.0011","18.3499","0.0014","17.2493","0.0014","90","","102.983","0.003","90","","4218.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 N8 O16 -","- C47 H32 N8 O16 -","- C188 H128 N32 O64 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1378","0.155","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233360","7.037","0.003","9.676","0.004","19.738","0.008","87.593","0.011","82.035","0.011","84.659","0.013","1324.6","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N5 O8 -","- C31 H21 N5 O8 -","- C62 H42 N10 O16 -","2","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1522","0.1019","","","0.2847","0.3186","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233361","8.8909","0.0011","7.8185","0.001","36.688","0.005","90","","96.018","0.004","90","","2536.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.081","0.0748","","","0.1902","0.1959","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233362","21.064","0.0017","7.3594","0.0005","17.0447","0.0013","90","","112.32","0.002","90","","2444.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0633","0.0391","","","0.0861","0.0984","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233363","8.9784","0.0015","7.2372","0.0012","38.16","0.007","90","","94.321","0.004","90","","2472.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0476","0.0426","","","0.1146","0.1189","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233364","21.301","0.005","7.2862","0.0013","17.188","0.003","90","","113.047","0.005","90","","2454.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1062","0.0564","","","0.1188","0.1378","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233365","8.931","0.001","7.2239","0.0008","38.218","0.005","90","","94.402","0.002","90","","2458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N5 O8 -","- C26 H18 Cl N5 O8 -","- C104 H72 Cl4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0522","0.0371","","","0.0902","0.0981","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233366","6.8096","0.0002","7.953","0.0003","14.0826","0.0004","94.042","0.002","103.561","0.002","103.726","0.003","713.78","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine 2-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C28 H28 N8 O10 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids – synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0982","0.1003","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233367","6.4812","0.0002","23.7503","0.0007","9.3288","0.0003","90","","101.841","0.003","90","","1405.43","0.08","149.95","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine 3-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids – synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.043","0.0377","","","0.0976","0.1016","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233368","7.0166","0.0002","12.4761","0.0004","24.645","0.0008","99.639","0.003","91.74","0.003","99.464","0.003","2094.29","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine di(4-hydroxybenzoic acid) monohydrate","","- C21 H22 N4 O9 -","- C21 H22 N4 O9 -","- C84 H88 N16 O36 -","4","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0525","0.0452","","","0.1325","0.1388","","","","","","1.067","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233396","9.71088","0.00005","16.39216","0.00009","15.37234","0.00009","90","","97.2646","0.0005","90","","2427.36","0.02","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 S -","- C32 H19 N5 S -","- C128 H76 N20 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0362","0.0346","","","0.0905","0.0919","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233397","9.74862","0.00008","17.91753","0.00015","17.82303","0.00015","90","","92.1261","0.0008","90","","3111.03","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 N6 O4 S -","- C39 H24 N6 O4 S -","- C156 H96 N24 O16 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0414","0.0389","","","0.1042","0.1062","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233398","10.12758","0.00005","16.68174","0.0001","19.48203","0.0001","90","","99.0942","0.0005","90","","3250.03","0.03","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F3 N5 O2 S -","- C40 H24 F3 N5 O2 S -","- C160 H96 F12 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0618","0.0568","","","0.158","0.1623","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233399","9.72297","0.00007","17.69375","0.00011","18.28982","0.00012","90","","94.3128","0.0006","90","","3137.59","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N6 O2 S -","- C40 H24 N6 O2 S -","- C160 H96 N24 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0386","0.0357","","","0.092","0.0942","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233400","9.93969","0.00008","17.64482","0.00016","17.57204","0.00014","90","","93.1282","0.0008","90","","3077.26","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 N5 O2 S -","- C39 H25 N5 O2 S -","- C156 H100 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0374","0.0355","","","0.0927","0.0942","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233404","16.836","0.0014","24.094","0.002","17.7653","0.0015","90","","117.791","0.003","90","","6375.2","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H147 Cd4 N19 Na2 O35 -","- C109 H147 Cd4 N19 Na2 O35 -","- C218 H294 Cd8 N38 Na4 O70 -","2","0.5","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.1197","0.0692","","","0.1883","0.2216","","","","","","1.045","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233405","43.6114","0.0018","43.6114","0.0018","43.6114","0.0018","90","","90","","90","","82947","6","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H90 N6 O31 Zn7 -","- C72 H72 N6 O31 Zn7 -","- C1152 H1152 N96 O496 Zn112 -","16","0.0833333","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.2533","0.1448","","","0.3452","0.4833","","","","","","1.688","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233406","10.0881","0.0002","10.2574","0.0002","14.2782","0.0003","76.988","0.002","72.988","0.002","82.528","0.002","1373.28","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0411","0.0384","","","0.0995","0.1014","","","","","","1.069","","","","has coordinates","223696","2020-10-21","18:00:00",""
"7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00",""
"7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233409","10.4667","0.0006","11.5284","0.0004","10.3816","0.0005","90","","104.218","0.006","90","","1214.32","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","1","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.0671","0.0491","","","0.1293","0.146","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233416","18.659","0.007","9.1804","0.0008","20.117","0.003","90","","99.31","0.018","90","","3400.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Mo N4 O4 -","- C37 H30 Cl2 Mo N4 O4 -","- C148 H120 Cl8 Mo4 N16 O16 -","4","1","","Kia, Reza; Hosseini, Mahsa; Abdolrahimi, Amin; Mahmoudi, Melika","Intermolecular C‒H⋯O and n →π* and short intramolecular σ →π* interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: structural and computational studies","CrystEngComm","2019","21","35","5222","","10.1039/C9CE01005J","","","0.71073","MoKα","","0.0977","0.0713","","","0.1607","0.1777","","","","","","1.06","","","","has coordinates","223703","2020-10-21","18:00:00",""
"7233417","8.5132","0.0002","16.183","0.0003","18.9865","0.0004","90","","97.818","0.002","90","","2591.44","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone acetonitrile hemisolvate","","- C26 H27 N5 O4 S2 -","- C26 H27 N5 O4 S2 -","- C104 H108 N20 O16 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0393","","","0.0975","0.1056","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233418","8.4167","0.0002","16.3415","0.0003","19.1383","0.0004","90","","95.832","0.002","90","","2618.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone nitromethane hemisolvate","","- C25 H27 N5 O6 S2 -","- C25 H27 N5 O6 S2 -","- C100 H108 N20 O24 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","1.54178","CuKα","K-L~3~","0.05","0.0491","","","0.1269","0.1276","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00",""
"7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233422","15.0718","0.0007","13.6626","0.0005","7.0649","0.0003","90","","92.519","0.002","90","","1453.4","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3,5-dichloro-2,6-difluoropyridine","","- C5 H2 Cl2 F2 N2 -","- C5 H2 Cl2 F2 N2 -","- C40 H16 Cl16 F16 N16 -","8","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0555","0.0424","","","0.1192","0.1338","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233423","3.6538","0.0003","7.6296","0.0008","20.158","0.002","90","","91.323","0.004","90","","561.8","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3,5,6-trifluoropyridine","","- C5 H3 F3 N2 -","- C5 H3 F3 N2 -","- C20 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0619","0.0516","","","0.1329","0.1391","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233424","5.0807","0.0005","7.6319","0.0007","8.5518","0.0009","77.722","0.004","89.064","0.005","87.753","0.004","323.75","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C10 H4 Cl2 F6 N4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0412","0.0303","","","0.0679","0.0758","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233425","12.6301","0.0005","8.1303","0.0003","15.8162","0.0006","90","","106.549","0.002","90","","1556.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5,7-difluoroquinoline 18-crown-6, associate 2:1","","- C30 H36 F4 N4 O6 -","- C30 H36 F4 N4 O6 -","- C60 H72 F8 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0532","0.0404","","","0.1088","0.1224","","","","","","0.994","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233426","15.8794","0.0006","13.2887","0.0006","11.502","0.0004","90","","98.93","0.002","90","","2397.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C52 H52 F6 N6 O6 -","- C52 H52 F6 N6 O6 -","- C104 H104 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0633","0.0445","","","0.1149","0.1398","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233427","8.519","0.0008","12.8724","0.0013","15.611","0.0017","110.573","0.004","98.064","0.004","90.097","0.004","1584.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine","","- C20 H14 F3 N3 -","- C20 H14 F3 N3 -","- C80 H56 F12 N12 -","4","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.1526","0.0978","","","0.2388","0.2623","","","","","","0.913","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233428","19.2435","0.0008","9.9058","0.0004","17.6406","0.0008","90","","119.63","0.002","90","","2923","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl4 F4 N4 O6 -","- C22 H28 Cl4 F4 N4 O6 -","- C88 H112 Cl16 F16 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1205","0.1348","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233429","22.3524","0.0011","8.0294","0.0003","16.3762","0.0008","90","","109.214","0.002","90","","2775.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0664","0.0435","","","0.1298","0.1627","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233430","19.1536","0.001","9.583","0.0005","17.3666","0.0014","90","","118.714","0.002","90","","2795.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3-chloro-2,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0634","0.0505","","","0.1389","0.1513","","","","","","1.074","","","","has coordinates,has disorder","223567","2020-10-21","18:00:00",""
"7233431","8.722","0.002","16.464","0.004","9.5","0.002","90","","100.139","0.009","90","","1342.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H30 F6 N4 O6 -","- C22 H30 F6 N4 O6 -","- C44 H60 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0885","0.0521","","","0.1306","0.1626","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233432","12.5421","0.0005","9.4386","0.0003","14.5435","0.0006","90","","106.472","0.002","90","","1651","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-amino-2-chloro-5,6,8-trifluoroquinoline 18-crown-6, associate 2:1","","- C30 H32 Cl2 F6 N4 O6 -","- C30 H32 Cl2 F6 N4 O6 -","- C60 H64 Cl4 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0683","0.0519","","","0.1495","0.1726","","","","","","0.956","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233454","11.71","0.002","11.89","0.002","12.71","0.003","95.65","0.03","114.28","0.03","111.22","0.03","1438.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","1","0.5","","Sun, Xiaojuan; Zhang, Jie; Yuan, Xianzhi; Fu, Zhiyong","A silicotungstate-based copper‒viologen hybrid photocatalytic compound for efficient degradation of organic dyes under visible light","CrystEngComm","2019","21","37","5563","","10.1039/C9CE01075K","","","0.71073","MoKα","","0.1169","0.0992","","","0.2369","0.256","","","","","","1.053","","","","has coordinates","223498","2020-10-21","18:00:00",""
"7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233474","13.2953","0.0004","8.1752","0.0003","17.7914","0.0006","90","","96.999","0.002","90","","1919.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0617","0.0422","","","0.1262","0.1439","","","","","","0.9605","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233475","28.9199","0.0009","7.3899","0.0002","18.0028","0.0006","90","","116.427","0.002","90","","3445.42","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C168 H144 Cl8 N8 O32 -","8","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.057","0.0406","","","0.1051","0.1155","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00",""
"7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233527","6.00417","0.00009","32.3664","0.0005","5.10565","0.00008","90","","93.183","0.001","90","","990.67","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 1 21/n 1","-P 2yn","14","","Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate","","- C7 H4 Cd F5 O4 P -","- C7 H4 Cd F5 O4 P -","- C28 H16 Cd4 F20 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0091","1.57337","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00",""
"7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233566","10.9409","0.0012","15.4091","0.0017","23.902","0.003","91.577","0.001","100.609","0.001","110.048","0.001","3702.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H160 Cd3 Cl12 La2 N48 O52 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.073","0.0622","","","0.1911","0.2036","","","","","","1.007","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233567","12.023","0.006","12.837","0.006","13.44","0.006","79.253","0.006","64.689","0.007","81.772","0.007","1837.6","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl10 N24 Nd2 O28 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1749","0.1368","","","0.4014","0.4402","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233568","12.298","0.002","15.48","0.003","18.54","0.004","81.044","0.003","87.516","0.003","87.398","0.003","3480.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Ho N24 O25 -","- C44 H52 Cd Cl5 Ho N24 O25 -","- C88 H104 Cd2 Cl10 Ho2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0921","0.0654","","","0.169","0.1914","","","","","","1.008","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233569","11.786","0.004","12.205","0.004","16.776","0.008","109.814","0.007","101.083","0.007","104.474","0.005","2094.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Ce2 Cl8 N26 O38 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0443","0.04","","","0.1254","0.1289","","","","","","1.006","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233570","15.4032","0.0016","17.4427","0.0018","18.5949","0.0019","112.95","0.001","100.91","0.001","97.578","0.002","4398.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H204 Cd2 Cl16 N48 O74 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.074","0.0518","","","0.1444","0.1568","","","","","","1.004","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233571","20.532","0.01","15.111","0.007","17.84","0.009","90","","122.546","0.005","90","","4666","4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H108 Cd2 Cl12 Ho2 N24 O38 -","- C56 H62 Cd2 Cl12 Ho2 N24 O26 -","- C112 H124 Cd4 Cl24 Ho4 N48 O52 -","2","0.25","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1074","0.0733","","","0.1928","0.2162","","","","","","1.009","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233572","12.3061","0.0013","15.4709","0.0017","18.522","0.002","81.042","0.002","87.538","0.001","87.38","0.002","3477.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H80 Cd Cl5 Dy N24 O26 -","- C44 H52 Cd Cl5 Dy N24 O26 -","- C88 H104 Cd2 Cl10 Dy2 N48 O52 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0888","0.0598","","","0.1523","0.1745","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233573","12.3443","0.0015","15.456","0.0019","18.558","0.002","81.136","0.002","87.379","0.002","87.409","0.002","3492.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Gd N24 O25 -","- C44 H52 Cd Cl5 Gd N24 O25 -","- C88 H104 Cd2 Cl10 Gd2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.055","0.0468","","","0.1345","0.1432","","","","","","1.002","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233574","15.3462","0.0015","17.3743","0.0017","18.4992","0.0018","112.402","0.001","100.568","0.001","98.219","0.001","4358.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H220 Cd2 Cl16 Eu4 N48 O82 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0504","0.0447","","","0.1532","0.1617","","","","","","1.007","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233575","12.438","0.004","15.506","0.005","18.489","0.006","80.79","0.004","87.654","0.004","87.463","0.004","3514","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cd Cl4 N25 O26 Sm -","- C44 H52 Cd Cl4 N25 O26 Sm -","- C88 H104 Cd2 Cl8 N50 O52 Sm2 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0962","0.0674","","","0.1931","0.2264","","","","","","1.013","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233613","10.0281","0.0006","10.0845","0.0005","13.1425","0.0007","75.763","0.005","68.657","0.005","65.46","0.005","1119.04","0.12","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","","Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang","Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation","CrystEngComm","2019","21","39","5862","","10.1039/C9CE00944B","","x-ray","0.71073","MoKα","","0.0568","0.0507","","","0.1367","0.1451","","","","","","1.049","","","","has coordinates","223569","2020-10-21","18:00:00",""
"7233614","6.96425","0.00019","7.8107","0.0002","23.7211","0.0007","90","","98.44","0.003","90","","1276.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 -","- C11 H16 N2 O5 -","- C44 H64 N8 O20 -","4","1","","Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.","The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid–base multicomponent systems","CrystEngComm","2019","21","40","6038","","10.1039/C9CE01239G","","","0.71073","MoKα","","0.061","0.0485","","","0.142","0.1548","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233619","4.8518","0.0003","8.1747","0.0005","6.8142","0.0004","90","","105.468","0.001","90","","260.48","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H2 O6 P2 Ti -","- H2 O6 P2 Ti -","- H4 O12 P4 Ti2 -","2","0.5","","Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang","Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework","CrystEngComm","2019","21","39","5867","","10.1039/C9CE01007F","","","0.71073","MoKα","","0.0249","0.0233","","","0.0672","0.0681","","","","","","1.16","","","","has coordinates","223565","2020-10-21","18:00:00",""
"7233657","18.4224","0.0008","16.1333","0.0009","21.6118","0.0012","90","","103.12","0.005","90","","6255.7","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Gd N O7 S2 -","- C28 H22 F6 Gd N O7 S2 -","- C224 H176 F48 Gd8 N8 O56 S16 -","8","1","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","Improved luminescence properties by the self-assembly of lanthanide compounds with a 1-D chain structure for the sensing of CH3COOH and toxic HS− anions","CrystEngComm","2019","21","39","5965","","10.1039/C9CE01077G","","","0.71073","MoKα","","0.0882","0.0602","","","0.1442","0.1567","","","","","","1.114","","","","has coordinates","223571","2020-10-21","18:00:00",""
"7233697","11.9203","0.0007","19.9475","0.0011","7.7761","0.0004","90","","103.949","0.003","90","","1794.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination compound","","","- C13 H12 N6 O6 Pb S -","- C13 H12 N6 O6 Pb S -","- C52 H48 N24 O24 Pb4 S4 -","4","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0252","0.0214","","","0.0504","0.0523","","","","","","1.025","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233698","37.25","0.005","5.0731","0.0006","22.594","0.003","90","","110.797","0.014","90","","3991.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination Compound","","","- C19 H15 N5 O3 Pb S -","- C19 H15 N5 O3 Pb S -","- C152 H120 N40 O24 Pb8 S8 -","8","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0378","0.0287","","","0.0555","0.0582","","","","","","1.042","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233723","10.1159","0.0005","13.148","0.0005","16.2911","0.0006","80.81","0.003","84.854","0.004","68.526","0.004","1989.34","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Schaniel, Dominik; Casaretto, Nicolas; Bendeif, El-Eulmi; Woike, Theo; Gallien, Anna K. E.; Klüfers, Peter; Kutniewska, Sylwia E.; Kamiński, Radosław; Bouchez, Guillaume; Boukheddaden, Kamel; Pillet, Sébastien","Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds","CrystEngComm","2019","21","38","5804","","10.1039/C9CE01119F","","","0.71073","MoKα","","0.0425","0.0337","","","0.0719","0.077","","","","","","1.083","","","","has coordinates,has disorder","223728","2020-10-21","18:00:00",""
"7233753","10.0899","0.0007","7.744","0.0005","13.7323","0.0009","90","","110.922","0.002","90","","1002.24","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C16 H16 N40 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan–triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.043","0.0367","","","0.0942","0.0978","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233754","18.7451","0.0009","7.3716","0.0004","14.7077","0.0006","90","","110.501","0.001","90","","1903.61","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0597","0.0479","","","0.1314","0.1393","","","","","","1.038","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233755","9.0312","0.0004","18.6286","0.0007","6.5567","0.0003","90","","96.737","0.002","90","","1095.47","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O4 -","- C4 H11 N11 O4 -","- C16 H44 N44 O16 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0634","0.0495","","","0.1327","0.1411","","","","","","1.062","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233756","14.26","0.002","4.9236","0.0007","17.854","0.002","90","","103.382","0.004","90","","1219.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.069","0.044","","","0.1081","0.1201","","","","","","1.041","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233757","14.9662","0.0007","13.9304","0.0008","13.3293","0.0005","90","","96.927","0.004","90","","2758.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N4 O4 Zn -","- C14 H8 N4 O4 Zn -","- C112 H64 N32 O32 Zn8 -","8","1","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.7107","MoKα","","0.0456","0.0349","","","0.0794","0.085","","","","","","1.049","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233758","4.913","0.001","13.234","0.003","10.065","0.002","90","","98.83","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd N4 O4 -","- C14 H8 Cd N4 O4 -","- C28 H16 Cd2 N8 O8 -","2","0.5","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.71073","MoKα","","0.0218","0.0187","","","0.0424","0.0436","","","","","","1.131","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233759","14.251","0.002","13.399","0.002","14.6369","0.0019","90","","93.001","0.011","90","","2791.1","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","0.71073","MoKα","","0.0616","0.0324","","","0.0699","0.074","","","","","","0.827","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233760","13.5518","0.0004","13.9161","0.0004","14.8283","0.0004","90","","90.716","0.003","90","","2796.22","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C64 H40 Cu4 N16 O16 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0734","0.0593","","","0.1684","0.1772","","","","","","1.062","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233762","13.8663","0.0004","13.235","0.0004","15.0241","0.0004","90","","93.199","0.002","90","","2752.93","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0725","0.0556","","","0.1906","0.1966","","","","","","1.122","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233815","8.2278","0.0006","9.2785","0.0008","11.296","0.0011","83.923","0.007","78.995","0.007","84.363","0.006","839.05","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N2 O2 -","- C20 H14 Ag N2 O2 -","- C40 H28 Ag2 N4 O4 -","2","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0434","0.0377","","","0.0874","0.0907","","","","","","1.061","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233816","13.8004","0.0006","17.5129","0.0006","18.766","0.0008","67.675","0.004","76.215","0.004","68.734","0.004","3883.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","1","0.5","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.1123","0.0688","","","0.1516","0.1681","","","","","","1.024","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233818","12.357","0.002","13.694","0.002","14.489","0.002","90","","99.674","0.003","90","","2416.9","0.6","298.2","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N2 O7 -","- C17 H14 Cd N2 O7 -","- C68 H56 Cd4 N8 O28 -","4","1","","Liu, Qian-Qian; Yue, Ke-Fen; Weng, Xian-Jun; Wang, Yao-Yu","Luminescence sensing and supercapacitor performances of a new (3,3)-connected Cd-MOF","CrystEngComm","2019","21","41","6186","","10.1039/C9CE01087D","","","0.71073","MoKα","","0.0575","0.0452","","","0.1279","0.1348","","","","","","1.037","","","","has coordinates","223506","2020-10-21","18:00:00",""
"7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233844","8.3805","0.0017","4.9153","0.001","23.694","0.005","90","","98.21","0.03","90","","966","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.1729","0.1342","","","0.2124","0.2317","","","","","","1.237","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233876","8.4912","0.0011","12.7255","0.0016","16.048","0.002","98.133","0.001","91.069","0.001","99.479","0.001","1691.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O6 -","- C40 H30 Cd N4 O6 -","- C80 H60 Cd2 N8 O12 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","","0.71073","MoKα","","0.0422","0.0322","","","0.0903","0.1068","","","","","","1.04","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233877","11.1521","0.0004","12.0285","0.0005","23.5503","0.0007","77.262","0.003","76.994","0.003","76.727","0.003","2947.99","0.19","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 N10 O12 Zn2 -","- C66 H50 N10 O12 Zn2 -","- C132 H100 N20 O24 Zn4 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0395","0.0332","","","0.0872","0.0928","","","","","","1.023","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233878","19.8075","0.0006","6.2207","0.0002","20.4492","0.0006","90","","98.035","0.003","90","","2494.94","0.13","236","50","236","50","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H25 Cd N2 O7 -","- C27 H25 Cd N2 O7 -","- C108 H100 Cd4 N8 O28 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0337","0.029","","","0.0735","0.0772","","","","","","1.049","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233916","19.6861","0.0019","4.7958","0.0004","25.169","0.002","90","","101.404","0.009","90","","2329.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Hg N4 O2 -","- C24 H20 Cl2 Hg N4 O2 -","- C96 H80 Cl8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.131","0.098","","","0.2655","0.2862","","","","","","1.066","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233918","4.931","0.00014","17.3546","0.0004","28.863","0.0008","90","","91.909","0.002","90","","2468.6","0.11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 Hg N4 O2 -","- C24 H20 Br2 Hg N4 O2 -","- C96 H80 Br8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.104","0.0833","","","0.1248","0.1302","","","","","","1.361","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233919","8.9772","0.0004","31.7959","0.0011","4.7115","0.0002","90","","90","","90","","1344.84","0.09","130","1","130","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Br2 Hg N4 O4 -","- C26 H28 Br2 Hg N4 O4 -","- C52 H56 Br4 Hg2 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0432","0.0383","","","0.097","0.1011","","","","","","1.077","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233920","9.1791","0.0006","32.206","0.002","4.7036","0.0003","90","","90","","90","","1390.49","0.15","100","1","100","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Hg I2 N4 O4 -","- C26 H28 Hg I2 N4 O4 -","- C52 H56 Hg2 I4 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0551","0.0451","","","0.0985","0.1041","","","","","","1.109","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233978","9.431","0.004","13.316","0.004","18.54","0.007","90","","91.891","0.013","90","","2327","1.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd Cl N4 O4 -","- C25 H20 Cd Cl N4 O4 -","- C100 H80 Cd4 Cl4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0312","0.0293","","","0.074","0.0754","","","","","","1.099","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233979","6.972","0.003","17.311","0.009","17.837","0.008","90","","93.913","0.014","90","","2147.8","1.7","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0522","0.0425","","","0.0859","0.0892","","","","","","1.107","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233981","15.2047","0.0006","18.4315","0.0006","28.6082","0.0011","101.926","0.003","96.44","0.003","98.138","0.003","7682.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97.25 H99.25 N12.5 O18.96 Zn4 -","- C97.25 H99.25 N12.5 O18.968 Zn4 -","- C194.5 H198.5 N25 O37.936 Zn8 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.1291","0.1061","","","0.3141","0.3374","","","","","","1.247","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233982","11.593","0.0006","45.238","0.002","23.3964","0.0011","90","","91.12","0.002","90","","12267.8","1","120","2","120.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H96 N12 O19 Zn4 -","- C97 H96 N12 O19 Zn4 -","- C388 H384 N48 O76 Zn16 -","4","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.71073","MoKα","","0.0839","0.0611","","","0.182","0.1985","","","","","","1.062","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00",""
"7233984","8.6867","0.0004","15.1019","0.0006","9.9125","0.0005","90","","105.478","0.005","90","","1253.22","0.1","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C48 H56 O28 -","4","1","","Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun","Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid","CrystEngComm","2019","21","42","6374","","10.1039/C9CE01092K","","x-ray","0.71073","MoKα","","0.0723","0.0486","","","0.1254","0.1402","","","","","","1.044","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234018","7.0897","0.0003","8.0981","0.0005","9.2634","0.0005","67.362","0.005","86.126","0.004","82.729","0.004","486.81","0.05","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Nd O9 -","- C8 H7 Nd O9 -","- C16 H14 Nd2 O18 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0197","0.0178","","","0.0413","0.0422","","","","","","1.102","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234020","16.309","0.0005","10.8889","0.0003","17.4148","0.0006","90","","98.031","0.003","90","","3062.31","0.17","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Tm2 -","- C12 H8 O13 Tm2 -","- C96 H64 O104 Tm16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0261","0.0219","","","0.0449","0.0467","","","","","","1.107","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234023","7.086","0.0003","7.9756","0.0003","9.2021","0.0003","67.832","0.003","86.055","0.003","82.82","0.003","477.71","0.03","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 O9 Tb -","- C8 H7 O9 Tb -","- C16 H14 O18 Tb2 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0211","0.0203","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234024","11.713","0.0007","7.9655","0.0004","14.7344","0.001","90","","97.8","0.006","90","","1362","0.14","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Er Na O12 -","- C8 H12 Er Na O12 -","- C32 H48 Er4 Na4 O48 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71","MoKα","","0.0529","0.0446","","","0.1172","0.1269","","","","","","1.092","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234025","16.2968","0.0007","10.8916","0.0005","17.3658","0.0007","90","","97.967","0.004","90","","3052.6","0.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Yb2 -","- C12 H8 O13 Yb2 -","- C96 H64 O104 Yb16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0278","0.022","","","0.0482","0.0507","","","","","","1.099","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234026","8.2692","0.0009","13.9397","0.0014","17.5348","0.0019","102.39","0.002","96.824","0.002","99.046","0.002","1925.1","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.1365","0.0614","","","0.1101","0.128","","","","","","0.861","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234027","9.2017","0.0008","13.14","0.0011","17.1774","0.0015","100.435","0.002","97.755","0.002","93.142","0.002","2017.2","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.099","0.0569","","","0.1361","0.1505","","","","","","0.956","","","","has coordinates","223537","2020-10-21","18:00:00",""
"7234028","16.702","0.005","29.879","0.005","18.259","0.005","90","","114.563","0.005","90","","8287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H62 Co3 N15 O13 -","- C81 H62 Co3 N15 O13 -","- C324 H248 Co12 N60 O52 -","4","0.5","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0638","0.046","","","0.1171","0.127","","","","","","1.035","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234029","27.306","0.005","8.903","0.005","28.816","0.005","90","","92.788","0.005","90","","6997","4","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H110 Cu4 N22 O24 -","- C148 H110 Cu4 N22 O24 -","- C296 H220 Cu8 N44 O48 -","2","0.25","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0885","0.0527","","","0.1218","0.1379","","","","","","1.014","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00",""
"7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234150","6.7365","0.0001","20.9912","0.0005","8.5808","0.0002","90","","94.757","0.002","90","","1209.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6.67 N1.33 O1.33 -","- C10 H6.66667 N1.33333 O1.33333 -","- C60 H40 N8 O8 -","6","1.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0595","0.0566","","","0.1601","0.1631","","","","","","1.068","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C–H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234153","25.1342","0.0004","25.1342","0.0004","25.1342","0.0004","90","","90","","90","","15878","0.4","296","2","296.15","","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C8 H20 Cl1.33 Co2.67 N12 O44 Si W12 -","- C8 H20 Cl1.3332 Co2.66667 N12 O44 Si W12 -","- C96 H240 Cl15.9984 Co32 N144 O528 Si12 W144 -","12","0.25","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0261","0.0235","","","0.0547","0.0563","","","","","","1.017","","","","has coordinates","223558","2020-10-21","18:00:00",""
"7234154","12.7994","0.001","13.1541","0.0011","18.1961","0.0015","92.859","0.001","90.22","0.001","95.736","0.001","3044.3","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H36 Cl2 Co3 N18 O49 Si W12 -","- C12 H24 Cl2 Co3 N18 O49 Si W12 -","- C24 H48 Cl4 Co6 N36 O98 Si2 W24 -","2","1","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0597","0.0406","","","0.0851","0.094","","","","","","0.98","","","","has coordinates,has disorder","223558","2020-10-21","18:00:00",""
"7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234203","12.0094","0.0004","12.8836","0.0006","17.3263","0.0007","90","","92.444","0.004","90","","2678.36","0.19","159.99","0.1","159.99","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H38 N12 Ni2 O11 S8 -","- C36 H38 N12 Ni2 O11 S8 -","- C72 H76 N24 Ni4 O22 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.1173","0.0799","","","0.1988","0.2335","","","","","","0.978","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234204","12.4803","0.0005","7.7683","0.0004","27.2802","0.0015","90","","90.8","0.004","90","","2644.6","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N12 Na2 O18 S8 -","- C36 H52 Co N12 Na2 O18 S8 -","- C72 H104 Co2 N24 Na4 O36 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","0.71073","MoKα","","0.0735","0.0535","","","0.1272","0.1464","","","","","","1.042","","","","has coordinates,has disorder","223542","2020-10-21","18:00:00",""
"7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234206","6.6351","0.0003","7.6159","0.0003","16.3967","0.0008","91.525","0.003","93.644","0.004","95.79","0.003","822.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0343","0.0301","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234207","8.9395","0.0004","12.0713","0.0004","16.8359","0.0006","90","","95.768","0.004","90","","1807.59","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl Mo N3 O6 -","- C15 H16 Cl Mo N3 O6 -","- C60 H64 Cl4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0539","0.0289","","","0.0502","0.053","","","","","","0.837","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234208","7.6639","0.0004","9.7687","0.0004","11.6636","0.0004","76.424","0.003","76.154","0.004","89.268","0.006","823.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0593","0.0612","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234209","8.9754","0.0002","12.0144","0.0009","16.8807","0.0006","90","","96.192","0.003","90","","1809.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Mo N3 O6 -","- C15 H16 Br Mo N3 O6 -","- C60 H64 Br4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0335","0.026","","","0.0536","0.0562","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234210","7.239","0.0003","10.6694","0.0004","11.841","0.0004","106.795","0.003","95.133","0.003","104.217","0.003","835.94","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0288","0.0231","","","0.0541","0.0559","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234213","6.6377","0.0004","10.1622","0.0006","11.6931","0.0006","97.524","0.005","94.078","0.004","93.698","0.005","777.8","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mo N3 O6 -","- C14 H13 Mo N3 O6 -","- C28 H26 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0776","0.0565","","","0.126","0.1319","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234222","9.487","0.0019","13.015","0.003","15.666","0.003","90","","93.28","0.03","90","","1931.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0575","0.0445","","","0.1234","0.13","","","","","","1.071","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234223","16.062","0.003","15.69","0.003","8.034","0.0016","90","","98.04","0.03","90","","2004.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0533","0.0435","","","0.1236","0.1304","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234224","9.086","0.0018","13.597","0.003","16.25","0.003","90","","97.35","0.03","90","","1991.1","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0661","0.0543","","","0.1695","0.1774","","","","","","1.154","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234225","8.971","0.0018","13.595","0.003","16.421","0.003","90","","96.7","0.03","90","","1989","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0451","0.0344","","","0.0908","0.0942","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234227","9.4","0.0019","13.351","0.003","15.562","0.003","90","","97.44","0.03","90","","1936.6","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0682","0.0559","","","0.1636","0.1716","","","","","","1.097","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234228","9.081","0.0018","13.6","0.003","16.245","0.003","90","","97.35","0.03","90","","1989.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0634","0.0545","","","0.166","0.1734","","","","","","1.112","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234229","15.974","0.003","15.801","0.003","7.996","0.0016","90","","98.1","0.03","90","","1998.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0421","0.0337","","","0.0902","0.0936","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234230","9.407","0.0019","13.348","0.003","15.571","0.003","90","","97.33","0.03","90","","1939.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0546","0.048","","","0.139","0.1445","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234231","14.47","0.003","8.437","0.0017","17.241","0.003","90","","110.23","0.03","90","","1975","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0523","0.0477","","","0.1404","0.1441","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234233","8.0668","0.0011","10.2716","0.0015","12.5958","0.0017","110.184","0.002","95.022","0.002","105.308","0.002","926.3","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Co Mo3 N3 O15 -","- C7 H10 Co Mo3 N3 O15 -","- C14 H20 Co2 Mo6 N6 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0381","0.0335","","","0.0992","0.1026","","","","","","1.04","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234234","8.0455","0.0003","10.2229","0.0004","12.4994","0.0005","109.595","0.001","94.998","0.001","105.448","0.001","915.73","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Mo3 N3 Ni O15 -","- C7 H10 Mo3 N3 Ni O15 -","- C14 H20 Mo6 N6 Ni2 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0301","0.0253","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234235","12.2427","0.0005","12.7055","0.0005","12.9947","0.0005","117.286","0.001","101.658","0.001","104.99","0.001","1609.7","0.11","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cd Mo4 N9 O18 -","- C21 H20 Cd Mo4 N9 O18 -","- C42 H40 Cd2 Mo8 N18 O36 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0476","0.0335","","","0.0677","0.0734","","","","","","1.032","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234236","8.1287","0.0011","11.5708","0.0016","15.695","0.002","105.595","0.003","101.843","0.002","104.487","0.002","1316.6","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Mo4 N6 O18 Zn -","- C14 H16 Mo4 N6 O18 Zn -","- C28 H32 Mo8 N12 O36 Zn2 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0554","0.0361","","","0.0729","0.0811","","","","","","1.013","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234237","12.9855","0.0005","19.6775","0.0007","7.6312","0.0003","90","","102.926","0.001","90","","1900.53","0.12","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Mo3 N6 O13 Zn -","- C10 H14 Mo3 N6 O13 Zn -","- C40 H56 Mo12 N24 O52 Zn4 -","4","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0291","0.0228","","","0.0578","0.0608","","","","","","1.018","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00",""
"7234276","4.1332","0.0005","8.4034","0.0009","10.1872","0.0011","90.8565","0.0014","96.407","0.0014","101.47","0.0015","344.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0248","0.0205","","","0.0475","0.0491","","","","","","1.104","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234277","7.5636","0.00011","6.5661","0.0001","9.5826","0.00013","90","","116.607","0.0009","90","","425.506","0.011","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C4 H12 N2 Ni O6 -","- C4 H12 N2 Ni O6 -","- C8 H24 N4 Ni2 O12 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0226","0.0203","","","0.0484","0.0495","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234278","8.505","0.004","9.781","0.004","7.345","0.003","90","","96.148","0.007","90","","607.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C6 H14 N4 Ni O2 S2 -","- C6 H14 N4 Ni O2 S2 -","- C12 H28 N8 Ni2 O4 S4 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0339","0.0277","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234314","26.035","0.008","4.7746","0.0016","9.927","0.004","90","","99.8","0.02","90","","1216","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C44 H40 I4 N12 O4 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0824","0.0463","","","0.1433","0.1792","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234315","10.478","0.003","10.115","0.003","13.052","0.004","90","","106.83","0.012","90","","1324.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O2 -","- C14 H14 N3 O2 -","- C56 H56 N12 O8 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0942","0.0489","","","0.1188","0.1422","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234395","12.4552","0.0012","14.2434","0.0014","13.5827","0.0013","90","","101.738","0.003","90","","2359.2","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 -","- C32 H24 N4 -","- C128 H96 N16 -","4","1","","Hu, Wangqin; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Zhang, Yuhan","Multi-stimuli responsive properties switch by intra- and inter-molecular charge transfer constructed from triphenylamine derivative","CrystEngComm","2019","21","43","6630","","10.1039/C9CE01217F","","","0.71073","MoKα","","0.0789","0.0587","","","0.156","0.1731","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234434","20.823","0.004","12.791","0.003","22.346","0.004","90","","103.89","0.03","90","","5778","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 Dy2 F36 N4 O14 -","- C38 H14 Dy2 F36 N4 O14 -","- C152 H56 Dy8 F144 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.107","0.0531","","","0.0814","0.0956","","","","","","0.998","","","","has coordinates,has disorder","223509","2020-10-21","18:00:00",""
"7234435","21.08","0.004","12.93","0.003","22.428","0.005","90","","104.26","0.03","90","","5925","2","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 N4 O14 Tb2 -","- C38 H14 F36 N4 O14 Tb2 -","- C152 H56 F144 N16 O56 Tb8 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0827","0.0671","","","0.1717","0.1879","","","","","","1.173","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234436","20.537","0.004","12.827","0.003","21.849","0.004","90","","104.98","0.03","90","","5560","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 Ho2 N4 O14 -","- C38 H14 F36 Ho2 N4 O14 -","- C152 H56 F144 Ho8 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0312","0.0277","","","0.0596","0.0611","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234437","24.768","0.008","15.634","0.004","19.349","0.006","90","","123.945","0.005","90","","6215","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 N2 O8 Tb -","- C25 H11 F18 N2 O8 Tb -","- C200 H88 F144 N16 O64 Tb8 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0769","0.0758","","","0.2162","0.2169","","","","","","0.971","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234438","24.222","0.006","16.502","0.007","19.343","0.008","90","","122.37","0.02","90","","6530","4","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 Dy F18 N2 O8 -","- C25 H11 Dy F18 N2 O8 -","- C200 H88 Dy8 F144 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0963","0.0557","","","0.1444","0.1835","","","","","","1.079","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234439","24.135","0.005","16.538","0.003","19.338","0.004","90","","122.23","0.03","90","","6529","3","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 Ho N2 O8 -","- C25 H11 F18 Ho N2 O8 -","- C200 H88 F144 Ho8 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0624","0.0482","","","0.1238","0.1348","","","","","","1.018","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234440","16.9943","0.0007","14.9296","0.0005","17.2155","0.0006","90","","117.37","0.005","90","","3878.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]-polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0737","0.0561","","","0.1645","0.1775","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234441","16.8161","0.0003","14.6779","0.0002","17.1039","0.0003","90","","117.901","0.003","90","","3730.93","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]_polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0529","0.0492","","","0.1422","0.1452","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234531","12.5794","0.0009","3.8549","0.0003","20.4981","0.0014","90","","103.627","0.007","90","","966.02","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine","","- C10 H8 N6 -","- C10 H8 N6 -","- C40 H32 N24 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0685","0.0523","","","0.1268","0.1351","","","","","","1.135","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234532","19.919","0.0003","15.3887","0.0003","18.5909","0.0003","90","","101.152","0.002","90","","5591.02","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0639","0.062","","","0.1594","0.1611","","","","","","1.035","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234533","19.9189","0.0006","15.8603","0.0005","18.7484","0.0004","90","","99.528","0.002","90","","5841.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1) nitromethane solvate","","- C41 H41 B4 F16 Fe2 N25 O5 -","- C41 H39 B4 F16 Fe2 N25 O5 -","- C164 H156 B16 F64 Fe8 N100 O20 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.1236","0.0848","","","0.2212","0.2496","","","","","","1.031","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234534","19.9235","0.0005","15.5984","0.0005","18.6533","0.0004","90","","100.512","0.002","90","","5699.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.085","0.082","","","0.2271","0.2314","","","","","","1.029","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234535","19.901","0.0005","15.9683","0.0004","18.7282","0.0006","90","","99.397","0.003","90","","5871.7","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/0.66) nitromethane solvate","","- C41 H40.32 B4 F16 Fe2 N25 O4.66 -","- C41 H39 B4 F16 Fe2 N25 O4.66 -","- C164 H156 B16 F64 Fe8 N100 O18.64 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0899","0.0834","","","0.2363","0.2454","","","","","","1.043","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234601","5.732","0.0003","11.2839","0.0006","12.309","0.0007","83.794","0.002","82.313","0.002","77.034","0.002","766.35","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0638","0.037","","","0.066","0.085","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234602","5.6832","0.0002","11.0865","0.0004","12.2076","0.0005","82.9822","0.0014","82.3948","0.0012","77.3857","0.0012","740.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0162","0.0157","","","0.0387","0.039","","","","","","0.985","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234603","5.7219","0.0002","11.2301","0.0004","12.2908","0.0004","83.6745","0.0016","82.3392","0.0014","77.163","0.0014","760.51","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0539","0.0361","","","0.0646","0.0796","","","","","","1.061","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234604","10.9466","0.0005","16.4851","0.0007","8.6575","0.0003","90","","96.0062","0.0019","90","","1553.72","0.11","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.072 H11.072 Cl1.9498 I1.0251 N -","- C64.288 H44.288 Cl7.7992 I4.1004 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.1405","0.0662","","","0.0704","0.0794","","","","","","1.082","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234605","10.9007","0.0003","16.4319","0.0004","8.6457","0.0002","90","","96.2379","0.001","90","","1539.44","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.092 H11.092 Cl1.954 I1.023 N -","- C64.368 H44.368 Cl7.816 I4.092 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0554","0.0328","","","0.0638","0.0762","","","","","","1.141","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234692","12.4398","0.0005","27.9839","0.0011","15.9403","0.0006","90","","91.647","0.002","90","","5546.8","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H65 Mn N3 O20 -","- C57 H55 Mn N3 O20 -","- C228 H220 Mn4 N12 O80 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.1058","0.0852","","","0.2477","0.2733","","","","","","1.041","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234694","17.772","0.0018","11.6573","0.0012","29.512","0.003","90","","101.183","0.003","90","","5998","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N8 O18 -","- C60 H60 N8 O18 -","- C240 H240 N32 O72 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.71073","MoKα","","0.1468","0.0883","","","0.2359","0.2817","","","","","","1.028","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00",""
"7234920","16.54","0.02","5.411","0.007","17.9","0.02","90","","100.47","0.02","90","","1575","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metropolol","1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.4226","0.079","","","0.0901","0.1541","","","","","","0.857","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234921","8.174","0.0017","9.264","0.002","14.884","0.003","98.244","0.005","96.622","0.004","99.623","0.005","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.2085","0.0779","","","0.2109","0.2763","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234923","11.894","0.002","19.099","0.004","7.8047","0.0016","90","","108.91","0.03","90","","1677.3","0.6","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C24 H64 Br20 N8 Sb4 -","4","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0415","0.0313","","","0.0643","0.0691","","","","","","1.019","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234924","22.4485","0.0006","18.9653","0.0005","7.9488","0.0002","90","","90","","90","","3384.14","0.15","325","2","325.15","","","","","","","","","5","B b e m","-B 2 2ab","64","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","0.5","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0741","0.0454","","","0.1136","0.129","","","","","","1.023","","","","has coordinates,has disorder","223242","2020-10-21","18:00:00",""
"7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00",""
"7234926","12.5378","0.0017","12.7153","0.0017","21.843","0.003","90","","102.085","0.004","90","","3405.1","0.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H26 Cd N4 O7 -","- C41 H26 Cd N4 O7 -","- C164 H104 Cd4 N16 O28 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0756","0.0467","","","0.0989","0.1119","","","","","","0.974","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234927","9.9901","0.0009","10.2697","0.001","21.862","0.002","86.042","0.002","87.985","0.002","63.233","0.002","1997.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd3 N4 O16 -","- C43 H30 Cd3 N4 O16 -","- C86 H60 Cd6 N8 O32 -","2","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.05","0.0389","","","0.0992","0.109","","","","","","1.04","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234928","9.7767","0.0008","10.1909","0.0008","12.5613","0.001","66.905","0.001","74.382","0.002","71.258","0.002","1075.35","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","1","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0282","0.0252","","","0.067","0.0692","","","","","","1.075","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00",""
"7234930","14.0389","0.001","13.765","0.0009","28.8767","0.0018","90","","98.241","0.001","90","","5522.7","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 Cd3 N8 O16 -","- C58 H46 Cd3 N8 O16 -","- C232 H184 Cd12 N32 O64 -","4","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0318","0.0267","","","0.0577","0.0597","","","","","","1.058","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234931","21.5195","0.0007","8.8433","0.0003","16.5517","0.0005","90","","90.697","0.003","90","","3149.61","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I5 O3 -","- C9 H7 I5 O3 -","- C72 H56 I40 O24 -","8","2","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0386","0.0266","","","0.0499","0.0547","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00",""
"7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234936","7.006","0.005","9.684","0.005","11.987","0.005","69.91","0.005","89.44","0.005","84.97","0.005","760.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl4 N3 O Sn -","- C9 H13 Cl4 N3 O Sn -","- C18 H26 Cl8 N6 O2 Sn2 -","2","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.1083","0.0743","","","0.1708","0.204","","","","","","1.061","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234938","8.472","0.0011","20.459","0.003","7.199","0.0016","90","","96.958","0.016","90","","1238.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.1063","0.0521","","","0.1136","0.1407","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234939","11.7417","0.0014","9.6253","0.0015","22.1211","0.0015","90","","99.154","0.008","90","","2468.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 N3 O3 -","- C25 H41 N3 O3 -","- C100 H164 N12 O12 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.0746","0.0482","","","0.1033","0.1187","","","","","","1.027","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234940","17.8761","0.0015","20.1749","0.0011","31.536","0.003","90","","104.661","0.008","90","","11003.1","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N8 O7 -","- C54 H90 N8 O7 -","- C432 H720 N64 O56 -","8","2","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.136","0.076","","","0.1947","0.2331","","","","","","1.052","","","","has coordinates,has disorder","223248","2020-10-21","18:00:00",""
"7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00",""
"7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00",""
"7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234947","22.401","0.003","22.401","0.003","11.964","0.002","90","","90","","90","","6003.6","1.5","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H5 N O5 Sc -","- C8 H5 N O5 Sc -","- C128 H80 N16 O80 Sc16 -","16","0.5","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0692","0.0649","","","0.2007","0.2042","","","","","","1.223","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234949","17.5069","0.0007","17.4747","0.0006","14.4628","0.0005","90","","109.016","0.001","90","","4183.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N8 O11 -","- C41 H39 Cd2 N8 O11 -","- C164 H156 Cd8 N32 O44 -","4","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0748","0.0469","","","0.1069","0.1199","","","","","","1.012","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234950","11.28","0.003","12.21","0.003","25.674","0.006","88.707","0.003","80.776","0.002","71.884","0.003","3315.9","1.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","1","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.111","0.056","","","0.1219","0.1397","","","","","","0.977","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234952","45.4283","0.0015","9.7068","0.0003","21.2371","0.0007","90","","109.192","0.001","90","","8844.3","0.5","190","","190.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Mn8 N32 O44 -","- C168 H168 Mn8 N32 O44 -","- C336 H336 Mn16 N64 O88 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1152","0.0882","","","0.2375","0.2588","","","","","","1.05","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239733","25.15","0.003","25.15","0.003","14.827","0.0019","90","","90","","90","","9378","2","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C480 H384 O96 -","16","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1387","0.0768","","","0.1994","0.2529","","","","","","1.015","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","301866","2025-08-22","21:38:37",""
"7239737","22.208","0.004","21.426","0.004","19.955","0.004","90","","110.64","0.03","90","","8886","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 N4 O4 -","- C44 H44 N4 O4 -","- C352 H352 N32 O32 -","8","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1444","0.0669","","","0.19","0.2278","","","","","","0.941","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239738","26.68","0.006","16.08","0.004","17.734","0.004","90","","111.563","0.003","90","","7076","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74 Cl2 O16 -","- C77 H74 Cl2 O16 -","- C308 H296 Cl8 O64 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1469","0.0937","","","0.281","0.3408","","","","","","1.165","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","301866","2025-08-22","21:38:37",""