# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T03:25:10+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section C') AND volume = 71 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
"2019744","19.392","0.004","7.5431","0.0015","22.754","0.005","90","","90","","90","","3328.4","1.2","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-\ 4-yl]diazenyl}phenyl)ethanone","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.0698","0.0409","","","0.0971","0.1051","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019745","14.076","0.005","30.549","0.012","7.539","0.003","90","","90","","90","","3242","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(<i>E</i>)-1-(4-Chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","","- C17 H14 Cl N5 O2 -","- C17 H14 Cl N5 O2 -","- C136 H112 Cl8 N40 O16 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.065","0.0382","","","0.086","0.093","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019746","5.3065","0.0008","8.446","0.0014","12.1459","0.0019","91.81","0.013","92.977","0.013","94.585","0.013","541.54","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone dimethyl sulfoxide monosolvate","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C18 H24 N4 O6 S2 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.094","0.0776","","","0.2173","0.2319","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019747","7.1268","0.0014","7.5481","0.0013","12.774","0.002","89.486","0.013","75.62","0.014","65.679","0.013","603.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone <i>N</i>,<i>N</i>-dimethylacetamide monosolvate","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C22 H30 N6 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0837","0.0499","","","0.1109","0.1229","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019748","7.1928","0.0006","8.1316","0.0007","13.6009","0.0011","93.219","0.007","99.114","0.007","108.395","0.006","740.53","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-dimethylamino-6-methylpyrimidin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate","","- C14 H18 N6 O2 -","- C14 H18 N6 O2 -","- C28 H36 N12 O4 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.046","0.0361","","","0.0961","0.1004","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019749","7.659","0.0006","10.2703","0.0008","13.9231","0.0011","105.134","0.006","104.921","0.006","98.267","0.006","995.08","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-dimethylamino-1,3,5-triazin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C16 H25 N9 O3 -","- C16 H25 N9 O3 -","- C32 H50 N18 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0502","0.044","","","0.1217","0.126","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019750","4.1389","0.0004","4.1389","0.0004","7.1055","0.0011","90","","90","","90","","121.72","0.03","293","2","293","2","","","","","","","","3","P -4 m 2","P -4 -2","115","","dilithium diboron carbide","","- C B2 Li2 -","- C B2 Li2 -","- C2 B4 Li4 -","2","0.25","FN3184","Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut","A new tetragonal structure type for Li~2~B~2~C","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025510","","","0.71073","MoKα","","0.0236","0.0172","","","0.0466","0.057","","","","","","1.444","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019751","15.1034","0.0011","23.9203","0.0017","9.5545","0.0007","90","","111.666","0.005","90","","3208","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)naphthalene-1,4-dicarboxamide-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~4~-phthalato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2'^)copper(II)]","","- C38 H24 Cu2 N4 O10 -","- C38 H24 Cu2 N4 O10 -","- C152 H96 Cu8 N16 O40 -","4","0.5","WQ3081","Lin, Rong-Guang; Wang, Yu-Lin; Liang, Qian","Structure and magnetic properties of a mixed-ligand copper(II) complex","Acta Crystallographica Section C","2015","71","1","","","10.1107/S205322961402556X","","","0.71073","MoKα","","0.0476","0.0359","","","0.0826","0.0882","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019752","12.7421","0.0011","16.6345","0.0014","20.278","0.003","90","","90","","90","","4298.1","0.8","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate","","- C22 H20 B F6 Fe N2 P -","- C22 H20 B F6 Fe N2 P -","- C176 H160 B8 F48 Fe8 N16 P8 -","8","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0592","0.0349","","","0.0762","0.086","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019753","7.2461","0.0013","8.849","0.002","17.9","0.003","96.99","0.02","98.218","0.018","98.624","0.017","1111.1","0.4","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl)(<i>tert</i>-butylamino)(ferrocenyl)boronium bromide","","- C24 H27 B Br Fe N3 -","- C24 H27 B Br Fe N3 -","- C48 H54 B2 Br2 Fe2 N6 -","2","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0714","0.043","","","0.0897","0.0988","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019754","13.0348","0.0018","23.772","0.002","17.7107","0.0015","90","","92.499","0.009","90","","5482.7","1","146","2","146","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridyl)(ferrocenyl)(4-methoxyphenylamino)boronium hexafluoridophosphate acetonitrile hemisolvate","","- C28 H26.5 B F6 Fe N3.5 O P -","- C28 H26.5 B F6 Fe N3.5 O P -","- C224 H212 B8 F48 Fe8 N28 O8 P8 -","8","2","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0722","0.0424","","","0.0828","0.0936","","","","","","1.018","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019755","9.881","0.003","8.5193","0.0017","20.81","0.004","90","","91.19","0.02","90","","1751.4","0.7","146","2","146","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,1'-Bis[(2,2'-bipyridyl)(cyanomethyl)boronium]ferrocene bis(hexafluoridophosphate)","","- C34 H28 B2 F12 Fe N6 P2 -","- C34 H28 B2 F12 Fe N6 P2 -","- C68 H56 B4 F24 Fe2 N12 P4 -","2","0.5","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0746","0.0383","","","0.0702","0.0814","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019756","7.0133","0.0005","17.8399","0.0013","25.0044","0.0018","90","","90","","90","","3128.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)","","- C16 H22 Br0.34 Cl0.66 N O3 -","- C16 H22 Br0.3432 Cl0.6568 N O3 -","- C128 H176 Br2.7456 Cl5.2544 N8 O24 -","8","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0277","0.0246","","","0.0641","0.0662","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019757","7.128","0.0001","21.3335","0.0005","10.5243","0.0002","90","","95.118","0.001","90","","1594","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0433","0.042","","","0.1327","0.1338","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019758","10.5046","0.0004","11.1534","0.0004","17.5193","0.0006","90","","90","","90","","2052.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one tetrachloridoaurate","","- C16 H22 Au Cl4 N O3 -","- C16 H22 Au Cl4 N O3 -","- C64 H88 Au4 Cl16 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0403","0.0393","","","0.0953","0.0959","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019759","10.6159","0.0004","7.106","0.0003","17.6348","0.0006","90","","105.331","0.0018","90","","1282.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{1-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)carbonyl]ethyl}ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.041","0.0386","","","0.1047","0.1068","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019760","15.8084","0.0003","11.4143","0.0002","11.6289","0.0002","90","","107.42","0.0009","90","","2002.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hydroxonium 1-(benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one dichloride","","- C16 H29 Cl2 N O6 -","- C16 H29 Cl2 N O6 -","- C64 H116 Cl8 N4 O24 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0504","0.0484","","","0.1491","0.1512","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019761","7.6971","0.0011","12.4656","0.0018","15.915","0.002","90","","102.171","0.002","90","","1492.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II)","","- C12 H12 Cl4 Co N2 -","- C12 H12 Cl4 Co N2 -","- C48 H48 Cl16 Co4 N8 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0224","0.022","","","0.049","0.0491","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019762","7.7074","0.0007","12.468","0.0011","15.9344","0.0014","90","","102.173","0.001","90","","1496.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II)","","- C12 H12 Cl4 N2 Zn -","- C12 H12 Cl4 N2 Zn -","- C48 H48 Cl16 N8 Zn4 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0274","0.026","","","0.0629","0.0637","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019763","11.0094","0.0004","12.7915","0.0005","14.5418","0.0005","85.567","0.002","83.815","0.002","69.15","0.002","1900.96","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (4<i>RS</i>)-4-(4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","2","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0516","0.0397","","","0.1083","0.1178","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019764","18.1455","0.0006","7.3171","0.0002","25.0493","0.0008","90","","102.008","0.001","90","","3253.08","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate 0.105-hydrate","","- C15 H18.21 N2 O3.105 S -","- C15 H18.21 N2 O3.105 S -","- C120 H145.68 N16 O24.84 S8 -","8","1","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0431","0.0358","","","0.0958","0.1014","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019765","12.238","0.002","17.073","0.003","12.782","0.003","90","","90.95","0.03","90","","2670.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","","- C26 H20 Cd N9 P -","- C26 H20 Cd N9 P -","- C104 H80 Cd4 N36 P4 -","4","1","SK3571","Li, Qiang","A three-dimensional anionic metal‒dicyanamide network in poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027090","","","0.71073","MoKα","","0.0398","0.0324","","","0.0775","0.0818","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019766","13.4478","0.0002","7.9458","0.0001","19.7535","0.0003","90","","90","","90","","2110.73","0.05","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenylindolin-2-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.046","0.0416","","","0.1161","0.1214","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019767","3.9581","0.0001","21.574","0.0007","13.2045","0.0004","90","","95.287","0.002","90","","1122.76","0.06","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-phenylindolin-2-one","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C56 H40 Br4 N4 O4 -","4","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.04","0.0282","","","0.0629","0.067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019768","8.1164","0.0003","13.3844","0.0005","22.7824","0.0008","90","","90","","90","","2474.92","0.16","90","2","90","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","5-Iodo-1-phenylindolin-2-one","","- C14 H10 I N O -","- C14 H10 I N O -","- C112 H80 I8 N8 O8 -","8","","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.039","0.0297","","","0.0678","0.0719","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019770","13.938","0.005","7.941","0.003","5.056","0.0017","90","","90.817","0.004","90","","559.5","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","taikanite-type","Tricalcium zinc germanium dioxide dodecaoxidotetragermanate","","- Ca3 Ge5 O14 Zn -","- Ca3 Ge5 O14 Zn -","- Ca6 Ge10 O28 Zn2 -","2","0.5","FP3002","Redhammer, Günther J.","Ca~3~ZnGeO~2~[Ge~4~O~12~]: a Ca‒Zn germanate related to the mineral taikanite","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027466","","","0.71073","MoKα","","0.0301","0.0297","","","","0.076","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019771","8.774","0.002","17.046","0.003","14.168","0.003","90","","102.04","0.03","90","","2072.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethoprim‒glutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒piperidine-2,6-dione (1/1)","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0552","0.0411","","","0.0995","0.1044","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019772","7.361","0.002","12.032","0.002","14.132","0.003","109.59","0.03","92.48","0.03","99.14","0.03","1157.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim‒3,3-dimethylglutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒4,4-dimethylpiperidine-2,6-dione (1/1)","","- C21 H29 N5 O5 -","- C21 H29 N5 O5 -","- C42 H58 N10 O10 -","2","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0495","0.0375","","","0.1018","0.1064","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019774","26.173","0.003","6.3586","0.0007","8.1089","0.0008","90","","90","","90","","1349.5","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-\ κ^2^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V)","","- C12 H10 N3 O7 V -","- C12 H10 N3 O7 V -","- C48 H40 N12 O28 V4 -","4","0.5","WQ3079","Hejrani-Dalir, Ali; Tabatabaee, Masumeh; Sheibani, Ali","Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) and its conversion to nanostructured V~2~O~5~","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027983","","","0.71073","MoKα","","0.0374","0.0347","","","0.082","0.0832","","","","","","1.178","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019775","9.002","0.002","16.553","0.004","7.8865","0.0018","90","","90.212","0.004","90","","1175.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~4~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-3-yl]butanedioato}zinc(II)]","","- C12 H9 N3 O4 Zn -","- C12 H9 N3 O4 Zn -","- C48 H36 N12 O16 Zn4 -","4","1","YO3002","Cai, Hua; Guo, Ying; Li, Jian-Gang","A two-dimensional zinc(II) coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028198","","","0.71073","MoKα","","0.0698","0.0423","","","0.0826","0.092","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019776","9.1376","0.0008","12.1229","0.0011","13.4135","0.0012","86.649","0.002","87.233","0.002","70.502","0.001","1397.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] dihydrate]","","- C26 H20 Bi Cu N5 O14 -","- C26 H20 Bi Cu N5 O14 -","- C52 H40 Bi2 Cu2 N10 O28 -","2","1","UK3108","Yue, Zi-Long; Feng, Yu-Quan; Ng, Seik Weng","A linear heterometallic bismuth‒copper coordination polymer containing two types of organic ligands","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028125","","","0.71073","MoKα","","0.0661","0.0472","","","0.11","0.1194","","","","","","1.01","","","","has coordinates,has Fobs","211403","2020-10-21","18:00:00",""
"2019777","7.4519","0.0001","7.4519","0.0001","31.8705","0.0007","90","","90","","120","","1532.69","0.04","173","2","173","2","","","","","","","","4","P 61","P 61","169","","4-Amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C66 H78 N18 O6 -","6","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.033","","","","0.0832","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019778","11.2061","0.0014","7.4638","0.0008","19.044","0.002","90","","106.655","0.004","90","","1526","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Methyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0393","","","","0.1084","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019779","13.427","0.002","10.1086","0.0014","12.2801","0.0018","90","","101.69","0.005","90","","1632.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0397","","","","0.1145","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019780","7.3857","0.0002","9.2159","0.0003","13.7494","0.0004","85.898","0.001","84.499","0.001","85.21","0.001","926.4","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]cyclohex-1-enecarboxylate","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C40 H50 N6 O6 -","2","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.039","","","","0.1067","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019781","8.4851","0.0007","12.4253","0.001","18.0314","0.0018","90","","92.282","0.003","90","","1899.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]-3-phenylacrylate","","- C22 H23 N3 O3 -","- C22 H23 N3 O3 -","- C88 H92 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0374","","","","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019782","6.9996","0.0008","12.335","0.0016","15.8345","0.0019","90","","99.666","0.004","90","","1347.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0359","","","","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019783","32.7563","0.001","6.9258","0.0002","16.4002","0.0005","90","","106.032","0.001","90","","3575.9","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]methyl}benzoate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C160 H152 N24 O24 -","8","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0402","","","","0.1103","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019784","8.0015","0.0016","9.5135","0.0019","9.846","0.002","96.9","0.03","98.16","0.03","96.51","0.03","730","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis(trichlorido{1-[(1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^2^)methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II))","","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","1","0.5","LF3001","Li, Qiang; Wang, Hui-Ting; Zhou, Lin","A new three-dimensional Cd^II^ supramolecular framework constructed from the 1-[(1<i>H</i>-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028009","","","0.71073","MoKα","","0.0319","0.0279","","","0.0843","0.0863","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019785","14.2226","0.0012","19.0094","0.0018","7.5203","0.0005","90","","94.727","0.007","90","","2026.3","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,3,5-Triiodo-2,4,6-trifluorobenzene‒pyridine <i>N</i>-oxide‒water (1/2/1)","","- C16 H12 F3 I3 N2 O3 -","- C16 H12 F3 I3 N2 O3 -","- C64 H48 F12 I12 N8 O12 -","4","0.5","SK3575","Raffo, Pablo A.; Cukiernik, Fabio D.; Baggio, Ricardo F.","The three-component cocrystal 1,3,5-trifluoro-2,4,6-triiodobenzene‒pyridineN-oxide‒water (1/2/1) built up by halogen bonds, hydrogen bonds and π‒π interactions","Acta Crystallographica Section C Structural Chemistry","2015","71","2","","","10.1107/S205322961402796X","","","0.71069","MoKα","","0.05","0.0354","","","0.0825","0.0962","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019786","14.1037","0.0007","7.4955","0.0004","14.5827","0.0008","90","","107.053","0.002","90","","1473.82","0.14","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichlorido{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}manganese(II)","","- C12 H11 Cl2 Mn N5 O -","- C12 H11 Cl2 Mn N5 O -","- C48 H44 Cl8 Mn4 N20 O4 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0305","0.0277","","","0.0652","0.0669","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019787","12.379","0.0007","19.2445","0.0013","9.8987","0.0006","90","","90","","90","","2358.1","0.3","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>]manganese(II)","","- C24 H20 Mn N10 O2 -","- C24 H20 Mn N10 O2 -","- C96 H80 Mn4 N40 O8 -","4","","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0713","0.041","","","0.0826","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019788","10.4215","0.0004","10.5323","0.0004","22.2477","0.001","90","","90","","90","","2441.96","0.17","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>'){μ~3~-<i>N</i>'-[1-(pyrazin-2-yl-κ^2^<i>N</i>^1^:<i>N</i>^4^)ethylidene]nicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^}cadmium(II)] chloroform disolvate]","","- C16 H15 Cd Cl6 N5 O3 -","- C16 H15 Cd Cl6 N5 O3 -","- C64 H60 Cd4 Cl24 N20 O12 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0239","0.0221","","","0.0524","0.0534","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019789","14.427","0.0003","15.635","0.0003","6.442","0.0001","90","","115.789","0.002","90","","1308.37","0.05","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^-[diaquamanganese(II)]-bis(μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)],","","- C24 H22 Mn2 N4 O12 -","- C24 H22 Mn2 N4 O12 -","- C48 H44 Mn4 N8 O24 -","2","0.25","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","0.71073","MoKα","","0.0246","0.0235","","","0.0647","0.0655","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019790","6.7148","0.0002","10.79","0.0003","11.762","0.0005","69.565","0.003","75.167","0.003","81.404","0.003","770.25","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquacopper(II)]-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-copper(II)-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-[aquacopper(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^] tetrahydrate]","","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","1","0.5","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","1.54178","CuKα","","0.0314","0.0302","","","0.0854","0.0864","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019791","12.4549","0.0003","15.5837","0.0004","21.1975","0.0005","90","","94.5206","0.0011","90","","4101.5","0.17","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)(2-{[3,5-bis(4-methoxyphenyl)-2<i>H</i>-\ pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-\ 3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-\ κ<i>N</i>^1^)tricarbonylrhenium(I)‒hexane‒acetonitrile (2/1/2)","","- C46 H43 N5 O7 Re -","- C46 H43 N5 O7 Re -","- C184 H172 N20 O28 Re4 -","4","1","OV3057","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0426","0.0399","","","0.1031","0.1058","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019792","10.7054","0.0004","10.933","0.0004","16.7416","0.0007","78.195","0.002","81.029","0.002","75.883","0.002","1848.46","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-(2-{[3,5-Bis(4-methoxyphenyl)-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-κ<i>N</i>^1^)tricarbonyl(dimethyl sulfoxide-κ<i>O</i>)rhenium(I),","","- C41 H36 N3 O8 Re S -","- C41 H36 N3 O8 Re S -","- C82 H72 N6 O16 Re2 S2 -","2","1","","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0318","0.0316","","","0.0883","0.0885","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019800","9.295","0.003","13.713","0.005","11.81","0.004","90","","101.638","0.005","90","","1474.4","0.9","100","2","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 2-octynoate","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.1562","0.0604","","","0.1241","0.1583","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019801","11.9391","0.0011","11.3093","0.001","11.7865","0.0011","90","","118.531","0.002","90","","1398.2","0.2","100.1","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 3-phenylpropynoate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.0465","0.0363","","","0.0872","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019802","13.87","0.003","19.023","0.004","19.238","0.004","90","","90","","90","","5075.9","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","","- C24 H15 N2 O10 Zn2 -","- C24 H13 N2 O10 Zn2 -","- C192 H104 N16 O80 Zn16 -","8","1","FA3357","Wen, Meng; Xiao, Zu-Ping; Wang, Chun-Ya; Huang, Xi-He","A three-dimensional coordination polymer based on the Zn~4~(μ~3~-OH)~2~ unit: poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000467","","","0.71073","MoKα","","0.064","0.0595","","","0.1092","0.1112","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019803","15.104","0.001","15.1212","0.001","9.2948","0.0006","90","","90","","90","","2122.8","0.2","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Cytosine","4-Aminopyrimidin-2(1<i>H</i>)-one","","- C4 H5 N3 O -","- C4 H5 N3 O -","- C64 H80 N48 O16 -","16","2","CU3072","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","The first polymorph in the family of nucleobases: a second form of cytosine","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000492","","","0.71073","MoKα","","0.056","0.0515","","","0.1328","0.1362","","","","","","1.203","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019804","7.8705","0.0004","4.9984","0.0003","30.9367","0.0017","90","","90.343","0.005","90","","1217.03","0.12","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (2,4-dichlorophenoxy)acetate trihydrate","Poly[[aqua[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^3^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:]lithium(I)] dihydrate]","","- C8 H11 Cl2 Li O6 -","- C8 H11 Cl2 Li O6 -","- C32 H44 Cl8 Li4 O24 -","4","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0383","0.0325","","","0.0723","0.0754","","","","","","1.071","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2019805","37.254","0.002","4.3589","0.0003","13.2378","0.001","90","","103.231","0.007","90","","2092.6","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","rubidium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>Cl</i>]dirubidium(I)]","","- C8 H6 Cl2 O3.5 Rb -","- C8 H6 Cl2 O3.5 Rb -","- C64 H48 Cl16 O28 Rb8 -","8","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0331","0.0274","","","0.0618","0.0646","","","","","","1.086","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2019806","8.9877","0.0004","7.3441","0.0002","32.825","0.0013","90","","90","","90","","2166.67","0.14","200","1","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","caesium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2^:<i>Cl</i>]-dicaesium(I)]","","- C8 H6 Cl2 Cs O3.5 -","- C8 H6 Cl2 Cs O3.5 -","- C64 H48 Cl16 Cs8 O28 -","8","2","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0326","0.0293","","","0.0571","0.0586","","","","","","1.14","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019816","7.3171","0.0013","9.8692","0.0018","10.2416","0.0018","68.401","0.003","84.964","0.003","70.617","0.003","648.2","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","","- C13 H10 Cu N4 O3 -","- C13 H10 Cu N4 O3 -","- C26 H20 Cu2 N8 O6 -","2","1","LG3154","Wang, Jiang-Yun","Structural and spectropscopic studies of a three-dimensional hydrogen-bonded copper(II) complex: aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","Acta Crystallographica Section C Structural Chemistry","2015","71","2","165","","10.1107/S2053229615001692","","","0.71073","MoKα","","0.0411","0.032","","","0.0762","0.0811","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019817","6.2897","0.0001","17.0161","0.0003","15.3522","0.0003","90","","90","","90","","1643.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isocyano-4-methylphenyl diphenylacetate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","CU3073","Boyarskaya, Dina; Avdontceva, Margarita; Chulkova, Tatiana","Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide","Acta Crystallographica Section C Structural Chemistry","2015","71","2","155","","10.1107/S2053229615001588","","","1.54184","CuKα","","0.0485","0.0466","","","0.1143","0.1157","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019818","13.4605","0.00018","14.6661","0.0002","16.2419","0.00019","90","","91.917","0.0011","90","","3204.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyltriphenylphosphonium bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobaltate(1-)","","- C31 H22 Cl4 Co P S4 -","- C31 H22 Cl4 Co P S4 -","- C124 H88 Cl16 Co4 P4 S16 -","4","1","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.0766","0.0409","","","0.083","0.0956","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019819","13.94737","0.00014","11.53304","0.00011","16.4799","0.00017","90","","90.6983","0.0009","90","","2650.69","0.05","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(methyltriphenylphosphonium) bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(2-) dimethyl sulfoxide disolvate","","- C54 H52 Cl4 Cu O2 P2 S6 -","- C54 H52 Cl4 Cu O2 P2 S6 -","- C108 H104 Cl8 Cu2 O4 P4 S12 -","2","0.5","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.1146","0.051","","","0.0998","0.1193","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019820","8.344","0.002","9.859","0.002","11.273","0.003","90","","91.493","0.004","90","","927","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^)copper(II)]","","- C16 H18 Cu N4 O8 -","- C16 H18 Cu N4 O8 -","- C32 H36 Cu2 N8 O16 -","2","0.5","LF3006","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Lian, Ping; Luo, Xu-Zhong","A two-dimensional copper(II) coordination polymer based on 2-propyl-1H-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C Structural Chemistry","2015","71","2","152","","10.1107/S2053229615000546","","","0.71073","MoKα","","0.0302","0.0277","","","0.0754","0.077","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019840","20.25","0.0014","12.0868","0.0008","9.0389","0.0005","90","","90.337","0.001","90","","2212.3","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>)ferrate(III)","","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C64 H48 Br8 Cs4 Fe4 N24 O8 S8 -","4","1","KY3069","Powell, Robyn Elizabeth; Schwalbe, Carl H.; Tizzard, Graham J.; Koningsbruggen, Petra J. van","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ3O,N,S)ferrate(III): supramolecular arrangement of low-spin FeIIIcomplex anions mediated by Cs+cations","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001928","","","0.71075","MoKα","","0.043","0.0326","","","0.0812","0.0859","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019841","8.4147","0.0003","9.1827","0.0003","15.2673","0.0005","87.174","0.003","89.87","0.003","83.631","0.003","1170.99","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(Pyridin-2-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-2-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0648","0.0451","","","0.101","0.1141","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019842","23.24","0.004","9.4869","0.0015","10.7258","0.0017","90","","105.82","0.002","90","","2275.2","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(Pyridin-3-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-3-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0709","0.0596","","","0.1339","0.1388","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019843","18.035","0.002","5.9874","0.0007","16.236","0.002","90","","105.133","0.003","90","","1692.4","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Acetophenone <i>O</i>-diphenylphosphoryl oxime","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","LF3007","Majer, Sean H.; Tanski, Joseph M.","Synthesis and crystal structure of a novel prochiral ketoimine: (E)-acetophenoneO-diphenylphosphoryl oxime","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615002351","","","1.54178","CuKα","","0.0343","0.0339","","","0.0909","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019865","14.7029","0.0012","16.6256","0.0014","18.8428","0.0015","90","","90","","90","","4606","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7,10-Bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","","- C39 H48 Cl6 O17 -","- C39 H48 Cl6 O17 -","- C156 H192 Cl24 O68 -","4","1","QS3041","Wang, Li; Li, Ya-jun; Li, Zheng-wei","Towards validating new enzymatic routes for synthetic conversion: 7,10-bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229614027399","","","0.71073","MoKα","","0.0895","0.0527","","","0.0998","0.1152","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019866","21.5898","0.0009","12.3292","0.0003","43.403","0.002","90","","104.129","0.005","90","","11203.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(tri-<i>o</i>-tolylphosphite-κ<i>P</i>)nickel(II)","","- C63 H63 Ni O9 P3 -","- C63 H63 Ni O9 P3 -","- C504 H504 Ni8 O72 P24 -","8","1","FG3327","Kampmann, Sven S.; Skelton, Brian W.; Wild, Duncan A.; Koutsantonis, George A.; Stewart, Scott G.","Tris(tri-<i>o</i>-tolyl phosphite-κ<i>P</i>)nickel: a coordinatively unsaturated nickel(0) complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615001680","","","1.54178","CuKα","","0.1144","0.0994","","","0.2454","0.2586","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019867","15.7293","0.0008","15.7293","0.0008","27.901","0.0014","90","","90","","90","","6903","0.6","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","Dodeca-μ~2~-acetato-κ^24^-<i>O</i>:<i>O</i>'-tetraaquatetra-μ~2~-nitro-κ^8^<i>O</i>:<i>O</i>'-octa-μ~3~-oxido-tetra-μ~2~-oxido-tetramanganese(IV)octamanganese(III) nitromethane tetrasolvate","","- C28 H56 Mn12 N8 O60 -","- C28 H56 Mn12 N8 O60 -","- C112 H224 Mn48 N32 O240 -","4","","FA3358","Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A.","[Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002326","","","0.71073","MoKα","","0.0348","0.0255","","","0.0635","0.0662","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019868","12.8008","0.0015","9.5323","0.0011","22.906","0.003","90","","92.817","0.003","90","","2791.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-{4-[(9,9-Dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","","- C35 H31 N Si -","- C35 H31 N Si -","- C140 H124 N4 Si4 -","4","1","LY3008","Lee, Ah-Rang; Han, Won-Sik","Incorporating two different chromophores onto a silicon atom: the crystal structure and photophysical properties of 9-{4-[(9,9-dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002624","","","0.71073","MoKα","","0.2061","0.0586","","","0.1412","0.2215","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019869","11.2986","0.0003","4.8997","0.0001","21.6179","0.0005","90","","102.636","0.001","90","","1167.78","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyloxycarbonyl-<i>L</i>-valyl-<i>L</i>-tyrosine methyl ester","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C46 H56 N4 O12 -","2","1","YF3079","Nicholas, Sumesh","The peptide NCbz-Val-Tyr-OMe and aromatic π‒π interactions","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002739","","","0.71073","MoKα","","0.046","0.0355","","","0.0897","0.0985","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019870","6.8001","0.0001","8.8015","0.0002","17.4805","0.0003","90","","90","","90","","1046.23","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","captopril","(2<i>S</i>)-1-[(2<i>S</i>)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0195","0.0195","","","0.052","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019871","6.6678","0.0004","11.068","0.0006","14.4219","0.0008","90","","91.925","0.002","90","","1063.72","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","captopril disulfide","1,1'-{Disulfanediylbis[(2<i>S</i>)-2-methyl-1-oxopropane-3,1-diyl]}bis-<i>L</i>-proline","","- C18 H28 N2 O6 S2 -","- C18 H28 N2 O6 S2 -","- C36 H56 N4 O12 S4 -","2","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0414","0.0411","","","0.1051","0.1054","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019872","17.9322","0.0004","10.4961","0.0003","13.2006","0.0004","90","","95.896","0.002","90","","2471.45","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cyclohexyl-5-ethylbarbituric acid form I","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","0.71073","MoKα","","0.0874","0.0611","","","0.1108","0.1246","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019873","12.5071","0.0007","21.0741","0.0009","10.331","0.0005","90","","116.989","0.005","90","","2426.5","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Cyclohexyl-5-ethylbarbituric acid form II","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","1","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","1.5418","CuKα","","0.0388","0.0345","","","0.0961","0.0988","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019874","10.193","0.003","23.924","0.002","7.284","0.003","90","","90","","90","","1776.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate]","","","- C4 H16 Mg2 N18 O7 -","- C4 H16 Mg2 N18 O7 -","- C16 H64 Mg8 N72 O28 -","4","1","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0599","0.0468","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019875","7.868","0.002","8.268","0.003","8.608","0.002","63.59","0.02","68.56","0.03","80.47","0.02","466.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[5-(pyrazin-2-yl)tetrazolate] hexaaquamagnesium(II)","","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","1","0.5","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0752","0.0516","","","","0.1124","","","","","","1.139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019876","13.9475","0.0005","8.1618","0.0003","40.9157","0.0014","90","","98.148","0.003","90","","4610.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒1-methylpyrrolidin-2-one (1/1/2)","","- C19 H30 N8 O3 S -","- C19 H30 N8 O3 S -","- C152 H240 N64 O24 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0486","0.0442","","","0.1183","0.1218","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019877","6.9996","0.0008","19.223","0.002","17.143","0.002","90","","90","","90","","2306.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/1)","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C72 H96 N48 O8 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.11","0.0522","","","0.0951","0.1113","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019878","8.2095","0.0007","12.8069","0.0011","14.3391","0.0013","89.914","0.007","76.23","0.007","83.418","0.007","1454.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylacetamide (2/1/2)","","- C22 H36 N10 O4 S2 -","- C22 H36 N10 O4 S2 -","- C44 H72 N20 O8 S4 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0481","0.0386","","","0.1007","0.1045","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019879","14.9786","0.0015","8.201","0.0011","22.568","0.002","90","","99.899","0.008","90","","2731","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylformamide (2/1/2)","","- C10 H16 N5 O2 S -","- C10 H16 N5 O2 S -","- C80 H128 N40 O16 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0582","0.0395","","","0.089","0.0953","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019880","8.268","0.0008","6.6","0.0004","25.043","0.002","90","","98.887","0.007","90","","1350.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Triaminopyrimidinium 6-methyl-2-thiouracilate‒6-methyl-2-thiouracil‒dimethylformamide (1/1/1)","","- C20 H33 N11 O4 S2 -","- C20 H33 N11 O4 S2 -","- C40 H66 N22 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0413","0.0367","","","0.0994","0.1019","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019881","7.3559","0.0006","30.068","0.002","8.1263","0.0007","90","","115.534","0.006","90","","1621.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethylformamide (1/1/1)","","- C12 H19 N7 O3 S -","- C12 H19 N7 O3 S -","- C48 H76 N28 O12 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.053","0.0468","","","0.1315","0.1367","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019882","8.252","0.0007","23.9532","0.0019","8.2133","0.0006","90","","102.496","0.006","90","","1585","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethyl sulfoxide (1/1/1)","","- C11 H18 N6 O3 S2 -","- C11 H18 N6 O3 S2 -","- C44 H72 N24 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0593","0.0471","","","0.1079","0.1131","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019883","15.0889","0.0004","5.2252","0.0001","33.5535","0.0009","90","","99.449","0.001","90","","2609.55","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trioctylphosphine oxide","Trioctylphosphine oxide","","- C24 H51 O P -","- C24 H51 O P -","- C96 H204 O4 P4 -","4","1","FN3187","Doan-Nguyen, Vicky V. T.; Carroll, Patrick J.; Murray, Christopher B.","Structure determination and modeling of monoclinic trioctylphosphine oxide","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615003009","","","0.71073","MoKα","","0.0477","0.0386","","","0.0968","0.1026","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019886","10.252","0.002","5.8362","0.0012","12.656","0.003","90","","106.29","0.03","90","","726.8","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C24 H22 Cl2 N4 O16 -","2","0.5","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0824","0.0785","","","0.2523","0.2578","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019887","20.904","0.004","11.953","0.002","12.018","0.002","90","","108.18","0.03","90","","2853","1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C96 H88 Cl8 N16 O64 -","8","1","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0618","0.057","","","0.1594","0.1648","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019888","10.516","0.003","14.796","0.005","10.62","0.003","90","","101.986","0.004","90","","1616.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetrahydroberberine","9,10-Dimethoxy-5,8,13,13a-tetrahydro-6<i>H</i>-benzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizine","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","KY3073","Pingali, Subramanya; Donahue, James P.; Payton-Stewart, Florastina","Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004076","","","0.71073","MoKα","","0.0732","0.05","","","0.1201","0.1322","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019889","6.6312","0.0014","9.717","0.002","12.837","0.003","76.136","0.004","89.521","0.004","81.162","0.004","793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[copper(II)-di-μ-chlorido-μ-proline-κ^2^<i>O</i>:<i>O</i>']","","- C5 H9 Cl2 Cu N O2 -","- C5 H9 Cl2 Cu N O2 -","- C20 H36 Cl8 Cu4 N4 O8 -","4","2","YF3081","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","Unexpected proline coordination in the copper chain polymer [Cu(μ-Cl)~2~(μ-<small>DL</small>-proline-κ^2^<i>O</i>:<i>O</i>')]^1^~{\ιnfty ~}","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500426X","","","0.71073","MoKα","","0.0575","0.0432","","","0.0845","0.0905","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019890","6.90225","0.00016","7.13","0.00016","25.4692","0.0005","90","","90","","90","","1253.42","0.05","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","SK3581","Cameron, T. Stanley; Grossert, J. Stuart; Maheux, Chad R.; Alarcon, Idralyn Q.; Copeland, Catherine R.; Linden, Anthony","Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004295","","","1.54184","CuKα","","0.0697","0.0667","","","0.1772","0.18","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019891","10.1149","0.0005","8.1266","0.0004","23.1765","0.0012","90","","91.889","0.001","90","","1904.07","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrapropylammonium carbamothioyl(carbamothioylamino)azanide","","- C14 H33 N5 S2 -","- C14 H33 N5 S2 -","- C56 H132 N20 S8 -","4","1","YO3004","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0475","0.0393","","","0.1061","0.1121","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019892","9.4151","0.0001","9.6835","0.0001","13.4189","0.0001","77.679","0.001","89.246","0.001","77.692","0.001","1167.1","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetrabutylammonium carbamothioyl(carbamothioylamino)azanide","","- C18 H41 N5 S2 -","- C18 H41 N5 S2 -","- C36 H82 N10 S4 -","2","1","","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0855","0.0582","","","0.1553","0.1755","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019893","10.8804","0.0003","11.4335","0.0003","12.5387","0.0003","66.319","0.002","78.224","0.002","69.035","0.002","1330.59","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","","- C26 H29 Cl N4 Ni O7 -","- C26 H29 Cl N4 Ni O7 -","- C52 H58 Cl2 N8 Ni2 O14 -","2","1","KY3074","Farkašová, Nela; Černák, Juraj; Falvello, Larry R.; Orendáč, Martin; Boča, Roman","Synthesis, crystal structure and magnetic properties of (acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003952","","","0.71073","MoKα","","0.0415","0.0357","","","0.0898","0.093","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019894","14.751","0.003","10.014","0.002","16.418","0.004","90","","106.13","0.03","90","","2329.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","","- C24 H24 Ag As N O4 P -","- C24 H24 Ag As N O4 P -","- C96 H96 Ag4 As4 N4 O16 P4 -","4","1","KU3147","Xiao, Zu-Ping; Wen, Meng; Wang, Chun-Ya; Huang, Xi-He","A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003885","","","0.71073","MoKα","","0.0491","0.0433","","","0.0773","0.0794","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019895","6.2201","0.0006","22.964","0.002","16.8626","0.0016","90","","92.879","0.008","90","","2405.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,10,12-Triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate","","- C23 H30 N6 O6 -","- C23 H30 N6 O6 -","- C92 H120 N24 O24 -","4","2","LG3159","Rivera, Augusto; Uribe, Juan Manuel; Ríos-Motta, Jaime; Osorio, Hector Jairo; Bolte, Michael","Evidence for stereoelectronic effects in the N—C—N group of 8,10,12-triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate from the protonation of aminal (2<i>R</i>,7<i>R</i>)-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane: X-ray and natural bond orbital analysis","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004829","","","0.71073","MoKα","","0.0611","0.044","","","0.0999","0.1065","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019896","13.3384","0.0019","13.3384","0.0019","24.957","0.005","90","","90","","120","","3845.3","1.1","293","2","293","2","","","","","","","","5","P 61","P 61","169","","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate]","","- C16 H15.5 Cd2 N12 O5.75 -","- C16 H14 Cd2 N12 O5.75 -","- C96 H84 Cd12 N72 O34.5 -","6","1","QS3042","Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang","A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004258","","","0.71073","MoKα","","0.0462","0.0456","","","0.1046","0.1051","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019897","4.1667","0.0004","12.6657","0.0011","20.3238","0.0018","90","","90","","90","","1072.57","0.17","120","","120","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","0.5","LG3157","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0665","0.054","","","0.1364","0.149","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019898","6.0184","0.0004","7.4714","0.0005","12.0911","0.0007","84.371","0.001","89.906","0.001","76.094","0.002","525.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.051","0.0416","","","0.114","0.1258","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019899","10.2625","0.0004","15.0558","0.0006","11.1755","0.0004","90","","113.032","0.001","90","","1589.08","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidin-2-amine‒glutaric acid (2/1)","","- C13 H18 N6 O4 -","- C13 H18 N6 O4 -","- C52 H72 N24 O16 -","4","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0642","0.0431","","","0.1114","0.1232","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019900","5.4848","0.0003","11.1944","0.0005","22.9123","0.0011","91.781","0.001","92.371","0.001","103.011","0.001","1368.32","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyrimidinium) glutarate‒glutaric acid (1/2)","","- C23 H34 N6 O12 -","- C23 H34 N6 O12 -","- C46 H68 N12 O24 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0488","0.0391","","","0.1025","0.1105","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019901","8.153","0.011","9.866","0.012","9.969","0.012","90.179","0.012","96.892","0.014","109.15","0.02","751.3","1.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","Tetrakis(1-methyl-2,3-dihydro-1<i>H</i>-imidazole-2-thione-κ<i>S</i>)gold(III) trichloride sesquihydrate","","- C16 H27 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","1","0.5","","Lynch, Will E.; Padgett, Clifford W.; Quillian, Brandon; Haddock, John","A square-planar hydrated cationic tetrakis(methimazole)gold(III) complex","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500474X","","","0.71075","MoKα","","","0.0413","","","","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019902","8.2892","0.001","8.3401","0.0007","11.0225","0.0013","90","","108.75","0.013","90","","721.58","0.15","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dendrocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-1-Hydroxy-6,6,9a-\ trimethyldodecahydronaphtho[1,2-<i>c</i>]furan-3-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","YP3088","Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004994","","","0.71073","MoKα","","0.0705","0.0429","","","0.0852","0.0969","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019903","8.5138","0.0011","10.5593","0.0013","12.2415","0.0015","66.699","0.002","74.443","0.002","85.953","0.002","972.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0337","0.0281","","","0.0654","0.0679","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019904","8.516","0.002","10.546","0.003","12.139","0.003","66.473","0.004","74.612","0.005","86.407","0.004","962.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0189","0.0183","","","0.0454","0.0458","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019905","8.5736","0.0019","10.436","0.002","11.995","0.003","66.935","0.004","74.909","0.004","86.261","0.004","952.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ μ-4,4'-(ethene-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0244","0.0225","","","0.0533","0.0542","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019906","8.0054","0.0016","9.972","0.002","11.451","0.002","80.91","0.03","71.17","0.03","81.95","0.03","850.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis({1-[(1<i>H</i>-benzoimidazol-2-yl-\ κ<i>N</i>^3^)methyl]-1<i>H</i>-tetrazole}zinc(II))-bis(μ~4~-pentane-1,5-\ dioato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^5^:<i>O</i>^5'^)] methanol disolvate]","","- C15 H18 N6 O5 Zn -","- C15 H18 N6 O5 Zn -","- C30 H36 N12 O10 Zn2 -","2","1","SK3580","Huang, Qiu-Ying; Zhang, Yu-Hong; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer based on mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005422","","","0.71073","MoKα","","0.0379","0.034","","","0.0738","0.0766","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019907","13.5177","0.0013","7.8151","0.0007","16.3815","0.0016","90","","105.988","0.001","90","","1663.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aquacalcium(II)]-μ-aqua-μ~3~-<i>DL</i>-proline-μ~2~-<i>DL</i>-proline]","","- C10 H22 Br2 Ca N2 O6 -","- C10 H22 Br2 Ca N2 O6 -","- C40 H88 Br8 Ca4 N8 O24 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0353","0.0277","","","0.0587","0.061","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019908","20.598","0.004","7.679","0.0014","9.7974","0.0017","90","","95.553","0.003","90","","1542.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)]","","- C10 H18 Br2 Ca N2 O4 -","- C10 H18 Br2 Ca N2 O4 -","- C40 H72 Br8 Ca4 N8 O16 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0482","0.0419","","","0.0947","0.0983","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019909","10.319","0.002","15.029","0.003","9.954","0.002","90","","100.02","0.03","90","","1520.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-(dimethylamino)pyridin-1-ium [di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-thiocyanato-κ<i>N</i>-cadmium(II)]]","","- C10 H11 Cd N5 S3 -","- C10 H11 Cd N5 S3 -","- C40 H44 Cd4 N20 S12 -","4","1","WQ3086","Wang, Hui-Ting; Wang, Xiao-Li","A new two-dimensional anionic cadmium(II) polymer constructed through thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005239","","","0.71073","MoKα","","0.0471","0.0326","","","0.0677","0.0738","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019913","16.703","0.0013","8.0515","0.0006","17.0919","0.0013","90","","90","","90","","2298.6","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.0757","0.0739","","","0.1663","0.1672","","","","","","1.308","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019914","11.2274","0.0014","13.3892","0.0017","16.849","0.002","91.475","0.002","92.646","0.002","106.889","0.002","2419","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","2","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.1187","0.0646","","","0.1306","0.1537","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019915","13.9402","0.0012","16.538","0.0015","14.3279","0.0013","90","","116.042","0.001","90","","2967.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-[(4-methoxybenzyl)oxy]-2-phenylacetate","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.059","0.0475","","","0.1239","0.1331","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019916","18.2606","0.0017","9.8976","0.0009","18.5364","0.0017","90","","99.31","0.002","90","","3306.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(anthracen-9-yl)methoxy]-2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-phenylacetate","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C152 H144 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.073","0.0474","","","0.1144","0.1285","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019917","5.5114","0.0011","8.3524","0.0017","13.106","0.003","90","","91.01","0.03","90","","603.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium zinc diarsenic heptaoxide","","- As2 O7 Sr Zn -","- As2 O7 Sr Zn -","- As8 O28 Sr4 Zn4 -","4","1","SK3577","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0408","0.0318","","","0.0711","0.0743","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019918","5.7343","0.0011","8.4722","0.0017","13.071","0.003","90","","91.12","0.03","90","","634.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium copper diarsenic heptaoxide","","- As2 Ba Cu O7 -","- As2 Ba Cu O7 -","- As8 Ba4 Cu4 O28 -","4","1","","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0265","0.0247","","","0.0588","0.0594","","","","","","1.204","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019919","19.1669","0.001","4.9965","0.0002","21.2416","0.0011","90","","101.946","0.004","90","","1990.2","0.17","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tribenzylphosphorothioic triamide","","- C21 H24 N3 P S -","- C21 H24 N3 P S -","- C84 H96 N12 P4 S4 -","4","1","FN3190","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Marandi, Pari; Dušek, Michal; Eigner, Václav","A new phosphorothioic triamide structure: P(S)[NHCH~2~C~6~H~5~]~3~","Acta Crystallographica Section C","2015","71","4","338","343","10.1107/S2053229615004453","","","1.54184","CuKα","","0.0617","0.0549","","","0.1315","0.1375","","","","","","1.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019921","3.805","0.0003","8.6739","0.0007","9.9138","0.0008","114.334","0.003","96.159","0.003","98.995","0.003","289.05","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium ethynedicarboxylate","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","1","0.5","EG3178","Chen, Xiaocui; Wang, Yue; Han, Shumin; Wei, Yongju; Wang, Ruiyao","4,4'-Bipyridine-1,1'-diium acetylenedicarboxylate: a new member of the (H~2~bipy)[Cu(ox)~2~] (bipy is 4,4'-bipyridine and ox is oxalate) family","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006336","","","0.71073","MoKα","","0.0438","0.0384","","","0.106","0.1102","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019922","11.0057","0.0002","7.64555","0.00014","18.6746","0.0003","90","","103.671","0.001","90","","1526.85","0.05","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,7-Dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C76 H60 F4 O12 -","4","1","YF3082","Mohri, Saki; Ohisa, Shinji; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Hydrogen bonding between aromatic H and F groups leading to a stripe structure withR- andS-columns: the crystal structure of (2,7-dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone and comparison with its 1-aroylnaphthalene analogues","Acta Crystallographica Section C Structural Chemistry","2015","71","5","","","10.1107/S2053229615005720","","","1.54187","CuKα","","0.0433","0.0363","","","0.0969","0.1005","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019923","20.656","0.004","17.666","0.004","31.305","0.006","90","","90","","90","","11423","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^2N,N')chromium(III) perchlorate","","- C10 H28 Br2 Cl Cr N4 O4 -","- C10 H28 Br2 Cl Cr N4 O4 -","- C240 H672 Br48 Cl24 Cr24 N96 O96 -","24","3","EG3179","Moon, Dohyun; Choi, Jong-Ha","Synthesis, crystal structure and spectroscopic properties of <i>trans</i>-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N,N</i>')chromium(III) perchlorate","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006026","","","0.62998","synchrotron","","0.0362","0.0308","","","0.0831","0.086","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019924","21.369","0.002","20.489","0.003","6.7444","0.001","90","","95.978","0.01","90","","2936.8","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyclohexylamino-3-methyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","0.71073","MoKα","","0.0959","0.0492","","","0.1001","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019925","7.3348","0.0003","7.3614","0.001","29.2335","0.0006","91.243","0.003","92.678","0.01","101.004","0.004","1547","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4-[(Cyclohexylamino)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","2","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","1.54184","CuKα","","0.0583","0.0458","","","0.1342","0.1389","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019926","7.1305","0.0005","12.5719","0.001","27.745","0.002","90","","90","","90","","2487.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methylpiperazine-1,4-diium bis(dihydrogen phosphate)","","- C5 H18 N2 O8 P2 -","- C5 H18 N2 O8 P2 -","- C40 H144 N16 O64 P16 -","8","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0656","0.041","","","0.0968","0.1106","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019927","17.3885","0.0007","10.4019","0.0005","8.3927","0.0003","90","","96.881","0.003","90","","1507.08","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","","- C10 H14 N2 O8 P2 -","- C10 H14 N2 O8 P2 -","- C40 H56 N8 O32 P8 -","4","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0677","0.0387","","","0.0876","0.1044","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019928","10.366","0.003","8.774","0.003","27.071","0.007","90","","101.48","0.01","90","","2412.9","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[diaquatris(μ~3~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)benzimidazole]tricadmium(II)","","- C48 H52 Cd3 N6 O14 -","- C48 H52 Cd3 N6 O14 -","- C96 H104 Cd6 N12 O28 -","2","0.5","LY3010","Yang, Xiu-Hong; Yang, Ming-Xing; Chen, Li-Juan; Guo, Jing; Lin, Shen","A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ~4~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1<i>H</i>-benzimidazole]tricadmium(II)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615005823","","","0.71073","MoKα","","0.044","0.0384","","","0.1036","0.1094","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019929","10.5197","0.0005","6.7783","0.0004","15.039","0.0007","90","","103.807","0.004","90","","1041.38","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-<i>O</i>-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-<i>D</i>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","","- C21 H26 F N3 O7 -","- C21 H26 F N3 O7 -","- C42 H52 F2 N6 O14 -","2","1","FP3005","Kruszynski, Rafal; Czestkowski, Wojciech","The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-<i>O</i>-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-<small>D</small>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","Acta Crystallographica Section C","2015","71","5","402","406","10.1107/S2053229615006646","","","0.71073","MoKα","","0.0284","0.0281","","","0.0706","0.0708","","","","","","1.084","","","","has coordinates,has Fobs","136355","2020-10-21","18:00:00",""
"2019930","6.3846","0.0018","3.6024","0.0009","14.387","0.004","90","","110.636","0.01","90","","309.67","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0264","0.0259","","","0.0778","0.0786","","","","","","1.084","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019931","6.4","0.005","3.614","0.002","14.453","0.012","90","","110.369","0.01","90","","313.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0523","0.0509","","","0.155","0.1574","","","","","","1.041","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019932","6.369","0.005","3.625","0.002","7.196","0.006","90","","110.37","0.04","90","","155.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","0.5","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0286","0.0281","","","0.0778","0.0782","","","","","","1.089","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019933","7.4376","0.0004","8.0321","0.0004","11.422","0.0006","80.98","0.004","87.261","0.004","64.488","0.005","608.05","0.06","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)","","- C11 H10 Cu N4 O5 -","- C11 H10 Cu N4 O5 -","- C22 H20 Cu2 N8 O10 -","2","1","FA3361","Yousefi, Zakieh; Eshtiagh-Hosseini, Hossein; Salimi, Alireza; Soleimannejad, Janet","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N,O</i>^6^)copper(II): X-ray and DFT calculated structure","Acta Crystallographica Section C","2015","71","5","386","393","10.1107/S2053229615005331","","","0.71073","MoKα","","0.0402","0.031","","","0.0707","0.0744","","","","","","1.06","","","","has coordinates,has Fobs","136357","2020-10-21","18:00:00",""
"2019934","11.162","0.002","9.1537","0.0018","16.348","0.005","90","","127.64","0.02","90","","1322.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ~2~-2,6-bis(imidazol-1-yl)pyridine-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(thiocyanato-κ<i>N</i>)manganese]","","- C24 H18 Mn N12 S2 -","- C24 H18 Mn N12 S2 -","- C48 H36 Mn2 N24 S4 -","2","0.5","FP3010","Wang, Yin-Lin; Long, Ling-Liang; Zhang, Jin-Fang","The crystal structure, luminescence and nitrobenzene-sensing properties of a two-dimensional Mn^II^ coordination polymer based on 2,6-bis(imidazol-1-yl)pyridine","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008529","","","0.71073","MoKα","","0.0401","0.0332","","","0.0786","0.0821","","","","","","1.049","","","","has coordinates,has Fobs","136358","2020-10-21","18:00:00",""
"2019935","12.2352","0.0008","26.1845","0.0018","4.0769","0.0003","90","","90","","90","","1306.13","0.16","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2<i>H</i>-1,3-dithiole-4,5-dicarboxylate","","- C13 H10 O6 S2 -","- C13 H10 O6 S2 -","- C52 H40 O24 S8 -","4","1","CU3076","Lissau, Henriette; Jevric, Martyn; Madsen, Anders Østergaard; Nielsen, Mogens Brøndsted","Synthesis of dithiafulvene‒quinone donor‒acceptor systems: isolation of a Michael adduct","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008578","","","0.71073","MoKα","","0.0514","0.0351","","","0.0708","0.077","","","","","","1.0601","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2019936","11.2934","0.0009","13.0083","0.001","15.8655","0.0013","91.083","0.004","110.514","0.004","99.713","0.004","2144","0.3","100","0.2","100.15","","","","","","","","","8","P -1","-P 1","2","","3-(Nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-\ 1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","","- C40.2 H45.4 B9 Cl4.4 N O3 P2 Rh -","- C38 H41 B9 N O3 P2 Rh -","- C76 H82 B18 N2 O6 P4 Rh2 -","2","1","FA3366","Rosair, Georgina M.; Scott, Greig; Welch, Alan J.","The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008724","","","0.71073","MoKα","","0.0445","0.0353","","","0.0858","0.089","","","","","","1.045","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019937","6.1299","0.0006","8.7431","0.0009","26.054","0.003","91.701","0.008","91.617","0.008","106.471","0.009","1337.5","0.3","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","Di-μ-aqua-bis[tetraaquasodium(I)] bis[4-(2,4,6-triisopropylbenzoyl)benzoate] dihydrate","","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","1","0.5","KU3156","Konieczny, Krzysztof; Bakowicz, Julia; Turowska-Tyrk, Ilona","The crystal and molecular structure of sodium 4-(2,4,6-triisopropylbenzoyl)benzoate in terms of the photochemical behaviour of the anion","Acta Crystallographica Section C","2015","71","5","410","414","10.1107/S2053229615008141","","","0.71073","MoKα","","0.1505","0.0787","","","0.1383","0.1629","","","","","","1.087","","","","has coordinates,has Fobs","136361","2020-10-21","18:00:00",""
"2019938","15.304","0.0005","12.9458","0.0004","26.6596","0.0009","90","","92.282","0.002","90","","5277.7","0.3","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","niclosamide","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide","","- C13 H8 Cl2 N2 O4 -","- C13 H8 Cl2 N2 O4 -","- C208 H128 Cl32 N32 O64 -","16","4","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.0499","0.0311","","","0.072","0.0763","","","","","","0.916","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019939","7.3426","0.0012","13.165","0.003","17.457","0.004","97.432","0.005","99.39","0.007","93.071","0.006","1646.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetone solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetone (1/1)","","- C16 H14 Cl2 N2 O5 -","- C16 H14 Cl2 N2 O5 -","- C64 H56 Cl8 N8 O20 -","4","2","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.1386","0.0525","","","0.0773","0.0953","","","","","","0.924","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019940","3.8301","0.0002","11.7321","0.0005","16.9034","0.0007","87.976","0.002","87.124","0.002","84.077","0.003","754.2","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetonitrile solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetonitrile (1/1)","","- C15 H11 Cl2 N3 O4 -","- C15 H11 Cl2 N3 O4 -","- C30 H22 Cl4 N6 O8 -","2","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","1.54178","CuKα","","0.1216","0.0818","","","0.2011","0.2281","","","","","","0.998","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019941","3.81342","0.00019","16.1428","0.0007","23.065","0.0011","90","","92.874","0.002","90","","1418.08","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","niclosamide monohydrate A","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide monohydrate","","- C13 H10 Cl2 N2 O5 -","- C13 H10 Cl2 N2 O5 -","- C52 H40 Cl8 N8 O20 -","4","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","powder diffraction","","1.5418","CuKα","","0.014","","","","","","","","1.42","","","","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019942","11.021","0.002","14.95","0.003","15.893","0.003","90","","113.47","0.03","90","","2402","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis[<i>P</i>,<i>P</i>,<i>P</i>',<i>P</i>'-tetraphenylditelluridoimidodiphosphinato-κ^2^<i>Te</i>]tellurium(II)","2,2,4,4,8,8,10,10-Octaphenyl-1λ^3^,5,6λ^4^,7λ^3^,11-pentatellura-3,9-diaza-2λ^5^,4λ^5^,8λ^5^,10λ^5^-tetraphosphaspiro[5.5]undeca-1,3,7,9-tetraene","","- C48 H40 N2 P4 Te5 -","- C48 H40 N2 P4 Te5 -","- C96 H80 N4 P8 Te10 -","2","0.5","YP3092","Chivers, Tristram; Ritch, Jamie S.","A square-planar tellurium(II) complex with <i>Te</i>,<i>Te</i>'-chelating ligands","Acta Crystallographica Section C","2015","71","5","407","409","10.1107/S2053229615007949","","","0.71073","MoKα","","0.0583","0.0342","","","0.0717","0.0825","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","136363","2020-10-21","18:00:00",""
"2019943","10.0579","0.0004","16.3027","0.0006","16.7074","0.0006","110.037","0.003","104.524","0.003","103.208","0.003","2337.83","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene-2κ<i>C</i>^2^]dicarbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)gold(0)iron(II)(<i>Au</i>—<i>Fe</i>) benzene trisolvate","","- C52 H59 Au Fe N2 O2 -","- C52 H59 Au Fe N2 O2 -","- C104 H118 Au2 Fe2 N4 O4 -","2","1","EG3184","Bechtoldt, Alexander; Lerner, Hans-Wolfram; Bolte, Michael","The first example of a two-coordinated Au^I^ atom bonded to an Fe^II^ atom and an N-heterocyclic carbene (NHC) ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500892X","","","0.71073","MoKα","","0.0356","0.0333","","","0.0862","0.0877","","","","","","1.08","","","","has coordinates,has Fobs","136364","2020-10-21","18:00:00",""
"2019944","9.3993","0.0003","4.8638","0.00013","13.2395","0.0004","90","","105.249","0.003","90","","583.95","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0363","0.0317","","","0.0782","0.082","","","","","","1.058","","","","has coordinates,has Fobs","136365","2020-10-21","18:00:00",""
"2019945","9.3382","0.00011","4.84411","0.00005","13.16136","0.00014","90","","105.077","0.0012","90","","574.865","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0326","0.0281","","","0.0675","0.0699","","","","","","1.068","","","","has coordinates","136365","2020-10-21","18:00:00",""
"2019946","6.223","0.001","7.178","0.002","19.732","0.005","90","","90","","90","","881.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Imino-λ^4^-sulfanylidene)[(4-methylphenyl)sulfanyl]amine","4-(4-Methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene","","- C7 H8 N2 S2 -","- C7 H8 N2 S2 -","- C28 H32 N8 S8 -","4","1","QS3045","Jones, Ray","The structure of the first stable monosubstituted sulfur diimide","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008645","","","1.54178","CuKα","","0.0407","0.0373","","","0.0626","0.0651","","","","","","0.996","","","","has coordinates,has Fobs","136366","2020-10-21","18:00:00",""
"2019947","7.2358","0.0001","10.5895","0.0002","17.2664","0.0003","90","","90.674","0.0011","90","","1322.92","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(<i>Z</i>)-2-((<i>E</i>)-1-{6-[1-({[Amino(sulfanidyl-κ<i>S</i>)methylidene]amino}imino-κ<i>N</i>)ethyl]pyridin-2-yl-κ<i>N</i>}ethylidene)-1-cyanohydrazinido-κ<i>N</i>^1^]copper(II)","","- C11 H11 Cu N7 S -","- C11 H11 Cu N7 S -","- C44 H44 Cu4 N28 S4 -","4","1","KU3154","Vieira, Rafael P.; Thompson, John R.; Beraldo, Heloisa; Storr, Tim","Partial conversion of thioamide into nitrile in a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone), a drug prototype for Alzheimer's disease","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500813X","","","1.54178","CuKα","","0.04","0.0351","","","0.0924","0.0963","","","","","","1.09","","","","has coordinates,has Fobs","136367","2020-10-21","18:00:00",""
"2019948","16.667","0.003","6.48","0.001","10.241","0.002","90","","90","","90","","1106.1","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl <i>N</i>-(2-acetylphenyl)oxalamate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","0.5","UK3109","Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I.","Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation","Acta Crystallographica Section C","2015","71","5","381","385","10.1107/S2053229615006725","","","0.71073","MoKα","","0.0368","0.0323","","","0.0802","0.0833","","","","","","1.046","","","","has coordinates,has Fobs","136368","2020-10-21","18:00:00",""
"2019949","28.4","0.006","9.038","0.0018","14.39","0.003","90","","90","","90","","3693.6","1.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)rhenium(I) methanol monosolvate","","- C17 H18 N3 O5 Re -","- C17 H18 N3 O5 Re -","- C136 H144 N24 O40 Re8 -","8","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0409","0.0275","","","","0.068","","","","","","1.023","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019950","7.4262","0.0011","9.0038","0.0012","13.078","0.0018","108.494","0.004","104.058","0.005","93.363","0.004","795.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)manganese(I)","","- C16 H14 Mn N3 O4 -","- C16 H14 Mn N3 O4 -","- C32 H28 Mn2 N6 O8 -","2","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0306","0.0274","","","","0.076","","","","","","1.058","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019952","14.566","0.0004","15.8567","0.0003","11.0472","0.0003","90","","104.872","0.003","90","","2466.08","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride monohydrate","","- C28 H30 Cl O4 P -","- C28 H30 Cl O4 P -","- C112 H120 Cl4 O16 P4 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0477","0.0427","","","0.1122","0.1166","","","","","","1.037","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019953","17.034","0.0007","5.0747","0.0002","22.6111","0.001","90","","110.917","0.005","90","","1825.75","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2,2',4,4',5,5'-Hexamethoxystilbene","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0605","0.0483","","","0.1389","0.147","","","","","","1.088","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019954","10.7971","0.0005","11.0286","0.0005","13.7963","0.0006","90","","94.45","0.0016","90","","1637.87","0.13","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Rubidium sodium decavanadate","Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate,","","- H21 Na O38 Rb4 V10 -","- H21 Na O38 Rb4 V10 -","- H42 Na2 O76 Rb8 V20 -","2","0.5","RA5004","Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V.","One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500844X","","","0.71073","MoKα","","0.0413","0.0317","","","0.0635","0.0645","","","","","","1.702","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019955","7.9867","0.0016","8.3516","0.0017","11.604","0.002","90.5","0.03","103.76","0.03","101.4","0.03","735.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-1-[(1<i>H</i>-benzimidazolyl)methyl]-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^}(μ~4~-butanedioato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~2~-butanedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dicadmium]","","- C13 H12 Cd N6 O4 -","- C13 H12 Cd N6 O4 -","- C26 H24 Cd2 N12 O8 -","2","1","","Huang, Qiu-Ying; Su, Ming-Yang; Meng, Xiang-Ru","A two-dimensional layered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009043","","","0.71073","MoKα","","0.0249","0.0231","","","0.0533","0.0543","","","","","","1.087","","","","has coordinates,has Fobs","136664","2020-10-21","18:00:00",""
"2019962","10.3202","0.0013","14.3929","0.0013","23.679","0.003","90","","99.157","0.004","90","","3472.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-3,3'-(diazenediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>']cadmium(II)] monohydrate]","","- C34 H38 Cd N10 O5 -","- C34 H38 Cd N10 O5 -","- C136 H152 Cd4 N40 O20 -","4","0.5","YF3085","Zhong, Ya-Qiang; Chen, Si-Chun; Zhang, Lei; Jing, Chu-Yue; Zhang, Kou-Lin","Synthesis, structure and properties of a new three-dimensional interpenetrated metal‒organic framework with 3,3'-azodibenzoic acid (H~2~azdc) and 1,4-bis(1<i>H</i>-imidazol-1-yl)butane (bimb): {[Cd(azdc)(bimb)~2~]·H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009869","","","0.71073","MoKα","","0.076","0.0644","","","0.1516","0.1561","","","","","","1.29","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019963","12.3059","0.0007","12.3943","0.0007","20.45","0.0012","94.385","0.001","97.292","0.001","101.074","0.001","3019.9","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,4-Bibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform semisolvate","(4-Hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone) chloroform hemisolvate","","- C38.5 H32.5 Cl1.5 O3 -","- C38.5 H32.5 Cl1.5 O3 -","- C154 H130 Cl6 O12 -","4","2","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","0.71073","MoKα","","0.0691","0.0455","","","0.1062","0.1157","","","","","","1.033","","","","has coordinates,has Fobs","137438","2020-10-21","18:00:00",""
"2019964","13.653","0.0003","12.0003","0.0002","19.1982","0.0004","90","","90","","90","","3145.43","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexanol","(4-Hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl)bis(phenylmethanone)","","- C40 H36 O5 -","- C40 H36 O5 -","- C160 H144 O20 -","4","1","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","1.54178","CuKα","","0.0362","0.0338","","","0.087","0.0886","","","","","","1.027","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019965","5.8217","0.0004","6.9692","0.0005","23.8602","0.0016","90","","97.299","0.006","90","","960.23","0.12","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitrobenzoate dihydrate","Poly[μ~2~-aqua-aqua-μ~3~-(4-nitrobenzoato)-potassium]","","- C7 H8 K N O6 -","- C7 H8 K N O6 -","- C28 H32 K4 N4 O24 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.033","0.0299","","","0.0712","0.0734","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019966","5.9355","0.0005","7.0456","0.0007","24.204","0.002","90","","98.739","0.008","90","","1000.44","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium 4-nitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-rubidium]","","- C7 H8 N O6 Rb -","- C7 H8 N O6 Rb -","- C28 H32 N4 O24 Rb4 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.0432","0.034","","","0.0768","0.0823","","","","","","0.966","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019967","7.787","0.0003","8.1899","0.0002","22.0975","0.0006","90","","90","","90","","1409.26","0.07","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C48 H84 N4 O12 Si4 -","4","1","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0527","0.0472","","","0.1122","0.1163","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019968","15.3969","0.0003","8.1763","0.0001","22.1067","0.0005","90","","90.01","0.002","90","","2783.01","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C96 H168 N8 O24 Si8 -","8","4","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0432","0.0394","","","0.1017","0.1066","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019969","22.9355","0.0007","8.1571","0.0002","22.123","0.0005","90","","90","","90","","4138.93","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C144 H252 N12 O36 Si12 -","12","3","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0521","0.0426","","","0.0963","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","137549","2020-10-21","18:00:00",""
"2019970","14.8841","0.0001","14.8841","0.0001","3.685","0.0001","90","","90","","120","","706.99","0.02","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Hexaerbium triacontacobalt enneakaidecasilicide","","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","1","0.0833333","","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Misztal, Renata; Pavlyuk, Volodymyr","Grown from lithium flux, the ErCo~5~Si~3.17~ silicide is a combination of disordered derivatives of the UCo~5~Si~3~ and Yb~6~Co~30~P~19~ structure types","Acta Crystallographica Section C","2015","71","6","506","510","10.1107/S2053229615009791","","","0.71073","MoKα","","0.0184","0.0163","","","0.0367","0.0376","","","","","","1.154","","","","has coordinates,has Fobs","137550","2020-10-21","18:00:00",""
"2019972","29.2238","0.0013","8.2252","0.0004","12.8789","0.0006","90","","90","","90","","3095.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(I) 0.18-hydrate","","- C15 H17.355 Cl Cu N3 O0.18 -","- C15 H17.3558 Cl Cu N3 O0.178 -","- C120 H138.846 Cl8 Cu8 N24 O1.424 -","8","2","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0533","0.0336","","","0.0586","0.0644","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019973","10.2961","0.0005","10.7435","0.0006","17.5025","0.0009","90","","94.932","0.003","90","","1928.89","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(I)-μ~2~-(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>C</i>^2^,<i>C</i>^3^] perchlorate acetonitrile monosolvate]","","- C17 H20 Cl Cu N4 O4 -","- C17 H20 Cl Cu N4 O4 -","- C68 H80 Cl4 Cu4 N16 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0388","0.0321","","","0.0848","0.0885","","","","","","1.062","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019974","8.3756","0.0003","11.038","0.0004","21.6954","0.0009","90","","100.749","0.001","90","","1970.54","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) dichloromethane monosolvate","","- C16 H19 Cl4 Cu N3 -","- C16 H19 Cl4 Cu N3 -","- C64 H76 Cl16 Cu4 N12 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0432","0.0347","","","0.0814","0.0855","","","","","","1.033","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019975","8.426","0.0012","14.832","0.002","14.007","0.002","90","","101.677","0.002","90","","1714.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) perchlorate","","- C15 H17 Cl2 Cu N3 O4 -","- C15 H17 Cl2 Cu N3 O4 -","- C60 H68 Cl8 Cu4 N12 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0495","0.0397","","","0.0929","0.0981","","","","","","0.977","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019976","10.3914","0.0002","12.2672","0.0003","26.0083","0.0006","90","","91.485","0.001","90","","3314.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis({(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)) bis(tetraphenylborate)","","- C78 H74 B2 Cl2 Cu2 N6 -","- C78 H74 B2 Cl2 Cu2 N6 -","- C156 H148 B4 Cl4 Cu4 N12 -","2","0.5","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0409","0.0319","","","0.0836","0.0894","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","139182","2020-10-21","18:00:00",""
"2019977","7.622","0.005","10.341","0.005","13.682","0.005","85.003","0.005","86.125","0.005","73.369","0.005","1028.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[aqua(μ~4~-benzene-1,2,3-tricarboxylato)[μ~2~-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ~3~-hydroxido)dizinc(II)]","","- C21 H16 N4 O8 Zn2 -","- C21 H16 N4 O8 Zn2 -","- C42 H32 N8 O16 Zn4 -","2","1","FP3012","Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong","A two-dimensional Zn^II^ coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methylidene]hydrazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010657","","","0.71073","MoKα","","0.045","0.0331","","","0.0798","0.0893","","","","","","1.006","","","","has coordinates,has Fobs","139183","2020-10-21","18:00:00",""
"2019978","7.6296","0.0003","7.8839","0.0003","18.1151","0.0008","90","","90","","90","","1089.64","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ~2~-pyrimidine-2-thiolato-κ^4^<i>N</i>^1^,<i>S</i>:<i>S</i>,<i>N</i>^3^)lead(II)]","","- C8 H6 N4 Pb S2 -","- C8 H6 N4 Pb S2 -","- C32 H24 N16 Pb4 S8 -","4","1","SK3588","Schwade, Vania Denise; Lang, Ernesto Schulz; Floriano, Luana","A three-dimensional metal‒organic polymer: poly[bis(μ2-pyrimidine-2-thiolato-κ4N1,S:S,N3)lead(II)]","Acta Crystallographica Section C Structural Chemistry","2015","71","7","1","","10.1107/S2053229615010359","","","0.71073","MoKα","","0.0242","0.0206","","","0.0455","0.0475","","","","","","0.687","","","","has coordinates,has Fobs","139184","2020-10-21","18:00:00",""
"2019979","17.2598","0.0003","21.299","0.0003","22.7585","0.0003","90","","96.378","0.002","90","","8314.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Cryptand-222)potassium chlorido[<i>meso</i>-tetra(α,α,α,α-<i>o</i>-\ pivalamidophenyl)porphyrinato]manganese tetrahydrofuran monosolvate","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium chlorido[<i>meso</i>-5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato(2-)]manganese(II) tetrahydrofuran monosolvate","","- C86 H108 Cl K Mn N10 O11 -","- C86 H108 Cl K Mn N10 O11 -","- C344 H432 Cl4 K4 Mn4 N40 O44 -","4","1","SK3589","Yu, Qiang; Li, Xiangjun; Liu, Diansheng; Li, Jianfeng","Structural study of a manganese(II) `picket-fence' porphyrin complex","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615009304","","","0.71073","MoKα","","0.069","0.0469","","","0.102","0.1132","","","","","","1.02","","","","has coordinates,has Fobs","139185","2020-10-21","18:00:00",""
"2019980","6.8024","0.0011","10.218","0.002","12.926","0.002","67.584","0.003","87.521","0.004","70.632","0.003","780","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(pipzH~2~)(pyzdc) 4.5(H~2~O)","Piperazine-1,4-diium pyrazine-2,3-dicarboxylate 4.5-hydrate","","- C10 H23 N4 O8.5 -","- C10 H23 N4 O8.5 -","- C20 H46 N8 O17 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0671","0.0517","","","0.1363","0.1502","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019981","10.2828","0.0005","12.711","0.0007","20.2387","0.001","96.671","0.003","98.2","0.003","112.923","0.004","2368.3","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[pipH2]2[Zn(pyrdc)2(H2O)]2.10H2O","Bis(piperazine-1,4-diium) bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^-bis[aqua(pyrazine-2,3-dicarboxylato-κ^2^<i>N</>^1^,<i>O</i>^2^)zinc(II)] decahydrate","","- C32 H56 N12 O28 Zn2 -","- C32 H56 N12 O28 Zn2 -","- C64 H112 N24 O56 Zn4 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0301","0.0236","","","0.0711","0.0756","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","139186","2020-10-21","18:00:00",""
"2019982","6.5238","0.0002","17.3808","0.0005","10.6599","0.0003","90","","100.656","0.003","90","","1187.87","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^] hexahydrate]","","- C16 H28 Co N6 O14 -","- C16 H28 Co N6 O14 -","- C32 H56 Co2 N12 O28 -","2","0.5","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0283","0.0255","","","0.0661","0.0677","","","","","","1.076","","","","has coordinates,has Fobs","139186","2020-10-21","18:00:00",""
"2019983","13.8742","0.0005","16.5419","0.0006","18.5356","0.0009","90","","110.547","0.001","90","","3983.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua(μ~5~-1,1'-biphenyl-2,2',5,5'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dicadmium(II)] dihydrate]","","- C40 H32 Cd2 N8 O11 -","- C40 H32 Cd2 N8 O11 -","- C160 H128 Cd8 N32 O44 -","4","1","OV3059","Su, Feng; Lu, Li-Ping","A three-dimensional Cd^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',5,5'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010992","","","0.71073","MoKα","","0.0531","0.0335","","","0.0757","0.084","","","","","","1.007","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019984","9.271","0.003","15.786","0.005","17.035","0.006","90","","95.322","0.005","90","","2482.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzil dihydrazone-N,N'-bis(2-chloro-1-formylbenzene)","1-(2-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.0925","0.0501","","","0.1278","0.1495","","","","","","0.952","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019985","11.619","0.004","23.173","0.008","9.165","0.003","90","","90","","90","","2467.6","1.4","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(3-chloro-1-formylbenzene)","1-(3-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","0.5","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1266","0.049","","","0.1203","0.1513","","","","","","0.984","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019986","9.661","0.005","11.492","0.006","13.018","0.007","111.04","0.007","109.532","0.007","93.954","0.007","1241.6","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(4-chloro-1-formylbenzene)","1-(4-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C56 H40 Cl4 N8 -","2","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1003","0.0578","","","0.1372","0.1582","","","","","","0.914","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019987","11.7178","0.0014","8.2765","0.0009","37.404","0.004","90","","99.806","0.005","90","","3574.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3-Amino-4-carboxybenzene-1-sulfonato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) 3-amino-4-carboxybenzene-1-sulfonate monohydrate","","- C38 H30 Cu N6 O11 S2 -","- C38 H30 Cu N6 O11 S2 -","- C152 H120 Cu4 N24 O44 S8 -","4","1","YF3088","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0668","0.0428","","","0.0994","0.1093","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019988","8.4858","0.0009","9.9337","0.0011","14.5512","0.0013","90","","120.445","0.005","90","","1057.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-3-amino-4-carboxylatobenzene-1-sulfonato-κ^2^<i>O</i>^4^:<i>O</i>^4'^]","","- C7 H9 Cu N O7 S -","- C7 H9 Cu N O7 S -","- C28 H36 Cu4 N4 O28 S4 -","4","1","","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0282","0.0237","","","0.0629","0.0653","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019989","7.1462","0.0002","13.1927","0.0005","13.6379","0.0005","94.905","0.003","104.416","0.003","101.579","0.003","1207.42","0.08","298","2","298","","","","","","","","","6","P -1","-P 1","2","","1-(7-Chloroquinolin-4-yl)thiosemicarbazide‒methanol‒water (2/1/1)","","- C10.5 H12 Cl N4 O S -","- C10.5 H12 Cl N4 O S -","- C42 H48 Cl4 N16 O4 S4 -","4","2","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.053","0.0336","","0.0893","","0.0893","","","0.973","","","0.973","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2019990","9.4517","0.0006","7.8839","0.0005","16.5172","0.001","90","","98.477","0.005","90","","1217.35","0.13","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(7-Chloro-1,4-dihydroquinolin-4-ylidene)azaniumyl]thiourea chloride","","- C10 H10 Cl2 N4 S -","- C10 H10 Cl2 N4 S -","- C40 H40 Cl8 N16 S4 -","4","1","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.0934","0.0479","","0.1009","0.0829","0.1029","","","1.05","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019991","10.04","0.002","29.5","0.006","10.966","0.002","90","","94.58","0.03","90","","3237.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-carboxymethyl-4-(dimethylamino)pyridinium [cadmium(II)-tri-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] [[[4-(dimethylamino)pyridinium-1-acetate-κ^2^<i>O</i>,<i>O</i>]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]","","- C23 H25 Cd2 N9 O4 S5 -","- C23 H25 Cd2 N9 O4 S5 -","- C92 H100 Cd8 N36 O16 S20 -","4","1","YO3008","Wang, Hui-Ting; Zhou, Lin","A one-dimensional Cd^II^ coordination polymer constructed from 4-(dimethylamino)pyridinium-1-acetate ligands and thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011298","","","0.71073","MoKα","","0.1534","0.0708","","","0.0928","0.1106","","","","","","1.062","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019992","11.441","0.007","3.781","0.002","20.553","0.012","90","","97.444","0.01","90","","881.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-3-(2-nitrophenyl)prop-2-en-1-ylidene]ethane-1,2-diamine","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","0.5","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.6727","synchrotron","","0.0619","0.0488","","","0.1209","0.1245","","","","","","0.972","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019993","9.1038","0.0008","13.8186","0.0012","15.2972","0.0014","104.783","0.0014","102.678","0.0014","91.3","0.0014","1809","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-\ diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-\ κ^2^<i>N</i>,<i>N</i>'}(thiocyanato-κ<i>N</i>)(triphenylphosphane-\ κ<i>P</i>)copper(I)]","","- C39 H33 Cu N5 O4 P S -","- C39 H33 Cu N5 O4 P S -","- C78 H66 Cu2 N10 O8 P2 S2 -","2","1","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.71073","MoKα","","0.0754","0.0687","","","0.1274","0.1296","","","","","","1.346","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019994","21.7231","0.0019","5.6603","0.0004","32.075","0.003","90","","98.95","0.008","90","","3895.9","0.6","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.2503","0.0868","","","0.1129","0.1624","","","","","","0.94","","","","has coordinates,has Fobs","139369","2020-10-21","18:00:00",""
"2019995","11.5217","0.0009","5.9974","0.0003","19.3426","0.0012","90","","95.848","0.006","90","","1329.62","0.15","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Lisinium hydrogen maleate hemihydrate","","- C10 H18 N O6.5 -","- C10 H18 N O6.5 -","- C40 H72 N4 O26 -","4","2","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.1134","0.0643","","","0.1006","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019996","12.2269","0.0006","5.30779","0.00017","15.4678","0.0006","90","","113.055","0.005","90","","923.65","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Norvalinium hydrogen maleate‒<i>L</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","1","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.0569","0.048","","","0.1058","0.1136","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","139369","2020-10-21","18:00:00",""
"2019997","12.4953","0.001","10.8683","0.0008","6.8075","0.0005","90","","90","","90","","924.48","0.12","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride","","- Gd4 O9 Si2 Te -","- Gd4 O9 Si2 Te -","- Gd16 O36 Si8 Te4 -","4","0.5","FP3011","Daszkiewicz, Marek; Gulay, Lubomir D.","Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and spectroscopic properties","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011651","","","0.71073","MoKα","","0.0293","0.0199","","","0.0363","0.0385","","","","","","1.1","","","","has coordinates,has Fobs","139464","2020-10-21","18:00:00",""
"2019998","13.4314","0.0004","8.2405","0.0004","29.9252","0.0009","90","","90","","90","","3312.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one","","- C18 H14 Cl2 O -","- C18 H14 Cl2 O -","- C144 H112 Cl16 O8 -","8","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0994","0.058","","","0.1747","0.2063","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2019999","6.6259","0.0008","8.6868","0.0011","30.472","0.004","90","","91.765","0.004","90","","1753.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]cyclohex-2-en-1-one","","- C21 H21 Cl O -","- C21 H21 Cl O -","- C84 H84 Cl4 O4 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.114","0.059","","","0.1174","0.1376","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020000","17.4871","0.0011","11.59","0.0008","10.0167","0.0007","90","","95.3","0.002","90","","2021.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>, 6<i>SR</i>)-4-(4-chlorophenyl)-6-[4-(propan-2-yl)phenyl]-2-oxocyclohex-3-ene-1-carboxylate","","- C23 H23 Cl O3 -","- C23 H23 Cl O3 -","- C92 H92 Cl4 O12 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.091","0.0592","","","0.1372","0.1609","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020001","10.0725","0.0003","12.5793","0.0003","14.9438","0.0004","104.332","0.001","92.467","0.001","94.565","0.001","1824.84","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4''-bromo-4-fluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C21 H16 Br F O3 -","- C21 H16 Br F O3 -","- C84 H64 Br4 F4 O12 -","4","2","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0771","0.0426","","","0.103","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","139704","2020-10-21","18:00:00",""
"2020002","23.461","0.005","5.5965","0.0013","17.068","0.003","90","","96.544","0.013","90","","2226.4","0.8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-((2-(pyridin-2-yl)hydrazono)methyl)pyridin-2-yl)methanol","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C96 H96 N32 O8 -","8","1","","Soto-Monsalve, Monica; Cabrera-Espinoza, Andrea; Grande, Carlos D.; D'Vries, Richard F.; Chaur, Manuel N.","Synthesis and characterization of (6-{[2-(pyridin-2-yl)hydrazinylidene]methyl}pyridin-2-yl)methanol: a supramolecular and topological study","Acta Crystallographica Section C","2015","71","7","631","635","10.1107/S2053229615010062","","","0.71073","MoKα","","0.0929","0.043","","","0.098","0.1088","","","","","","0.833","","","","has coordinates","171462","2020-10-21","18:00:00",""
"2020003","23.1681","0.0011","13.0753","0.0006","13.2643","0.0006","90","","97.251","0.003","90","","3986","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)terephthalamide]bis(μ~3~-4,4'-oxydibenzoato)dizinc(II)]","","- C46 H30 N4 O12 Zn2 -","- C46 H30 N4 O12 Zn2 -","- C184 H120 N16 O48 Zn8 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0285","0.0251","","","0.0707","0.0725","","","","","","1.052","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020004","27.0043","0.001","7.9145","0.0003","17.9803","0.0006","90","","129.491","0.002","90","","2965.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-<i>N</i>^4^,<i>N</i>^4'^-bis(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide]dicadmium(II)] dihydrate]","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C128 H104 Cd4 N16 O32 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0599","0.0566","","","0.1751","0.1809","","","","","","1.059","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020005","33.2283","0.0019","6.6469","0.0004","7.4241","0.0004","90","","91.299","0.005","90","","1639.3","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-phenylalaninato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C17 H17 N O4 Zn -","- C17 H17 N O4 Zn -","- C68 H68 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0465","0.0382","","","0.0732","0.0778","","","","","","0.986","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020006","6.479","0.0004","7.6577","0.0004","30.7746","0.0019","90","","90","","90","","1526.86","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-leucinato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C14 H19 N O4 Zn -","- C14 H19 N O4 Zn -","- C56 H76 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0739","0.0689","","","0.1315","0.135","","","","","","1.166","","","","has coordinates,has Fobs","139728","2020-10-21","18:00:00",""
"2020007","3.8106","0.0003","3.8106","0.0003","21.719","0.002","90","","90","","120","","273.12","0.04","291.6","0.8","291.6","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium scandium sulfide","","- K S2 Sc -","- K S2 Sc -","- K3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0285","0.025","","","0.0625","0.0638","","","","","","1.92","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020008","3.8299","0.0006","3.8299","0.0006","22.656","0.003","90","","90","","120","","287.8","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rubidium scandium sulfide","","- Rb S2 Sc -","- Rb S2 Sc -","- Rb3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.033","0.0329","","","0.0677","0.0677","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020009","4.1626","0.0003","4.1626","0.0003","21.8996","0.0019","90","0.006","90","0.006","120","0.007","328.62","0.05","301.2","0.4","301.2","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium neodymium sufide","","- K Nd S2 -","- K Nd S2 -","- K3 Nd3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0096","0.0096","","","0.0098","0.0098","","","","","","0.6","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020010","4.1174","0.0006","4.1174","0.0006","21.888","0.003","90","","90","","120","","321.35","0.08","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium samarium sulfide","","- K S2 Sm -","- K S2 Sm -","- K3 S6 Sm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0312","0.0312","","","0.0686","0.0686","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020011","4.0523","0.0007","4.0523","0.0007","21.885","0.003","90","","90","","120","","311.23","0.09","295","0.9","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium terbium sulfide","","- K S2 Tb -","- K S2 Tb -","- K3 S6 Tb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0167","0.0167","","","0.0351","0.0351","","","","","","0.97","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020012","4.0315","0.0011","4.0315","0.0011","21.89","0.005","90","","90","","120","","308.11","0.14","293.5","0.6","293.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium dysprosium sulfide","","- Dy K S2 -","- Dy K S2 -","- Dy3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0519","0.0516","","","0.105","0.105","","","","","","2.32","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020013","4.0098","0.0004","4.0098","0.0004","21.878","0.002","90","","90","","120","","304.64","0.05","303.3","0.3","303.3","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium holmium sulfide","","- Ho K S2 -","- Ho K S2 -","- Ho3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0308","0.0204","","","0.0497","0.0597","","","","","","1.56","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020014","3.9935","0.0004","3.9935","0.0004","21.866","0.002","90","","90","","120","","302","0.05","296","6","296","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium erbium sulfide","","- Er K S2 -","- Er K S2 -","- Er3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0267","0.0267","","","0.0642","0.0642","","","","","","1.81","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020015","3.9761","0.0005","3.9761","0.0005","21.841","0.003","90","","90","","120","","299.03","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium thulium sulfide","","- K S2 Tm -","- K S2 Tm -","- K3 S6 Tm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0162","0.0162","","","0.0395","0.0395","","","","","","1.12","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020016","3.9615","0.0008","3.9615","0.0008","21.81","0.003","90","","90","","120","","296.42","0.09","301","0.15","301","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium ytterbium sulfide","","- K S2 Yb -","- K S2 Yb -","- K3 S6 Yb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0287","0.0287","","","0.0691","0.0691","","","","","","1.65","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020018","7.9551","0.0007","8.878","0.0008","13.9793","0.0012","101.246","0.0012","90.5899","0.0012","115.42","0.001","869.65","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.047","0.0415","","","0.1097","0.1158","","","","","","1.056","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020019","7.9881","0.0012","8.9052","0.0013","14.053","0.003","101.185","0.003","90.964","0.003","114.909","0.002","884","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.0648","0.0508","","","0.1351","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020020","8.0257","0.0009","8.9366","0.0011","14.1268","0.0017","101.023","0.0019","91.2751","0.0019","114.542","0.0017","898.78","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.077","0.0552","","","0.1458","0.1655","","","","","","1.017","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020021","7.8881","0.0009","14.0296","0.0017","20.81","0.003","90","","91.749","0.007","90","","2301.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.1662","0.0702","","","0.1492","0.1862","","","","","","0.92","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020022","15.7925","0.0011","13.7715","0.0004","11.3887","0.0003","90","","94.35","0.007","90","","2469.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C96 H96 Cl8 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71075","MoKα","","0.0395","0.0337","","","0.0847","0.087","","","","","","1.074","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020023","9.274","0.004","4.1096","0.0018","16.104","0.007","90","","97.813","0.009","90","","608.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C24 H24 Cl2 N6 O6 -","2","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","1.54187","CuKα","","0.0362","0.0343","","","0.0814","0.0822","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020024","19.7273","0.0013","7.6749","0.0003","9.3882","0.0003","90","","90","","90","","1421.42","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]-<i>N</i>,3-dimethyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.058","","","","","","1.061","","","","has coordinates,has Fobs","140984","2020-10-21","18:00:00",""
"2020025","35.847","0.003","7.3242","0.0005","22.995","0.002","90","","117.882","0.003","90","","5336.5","0.8","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide)","","- C28 H20 N10 O2 -","- C28 H20 N10 O2 -","- C224 H160 N80 O16 -","8","1","LY3016","Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui","Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012437","","","0.71073","MoKa","","0.0562","0.0384","","","0.104","0.1183","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","140985","2020-10-21","18:00:00",""
"2020036","13.4809","0.0006","14.3767","0.0007","6.2095","0.0003","90","","95.57","0.001","90","","1197.79","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","anisole","Methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","YF3090","Seidel, Rüdiger W.; Goddard, Richard","Anisole at 100K: the first crystal structure determination","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012553","","","1.54178","CuKα","","0.0384","0.0372","","","0.1109","0.1119","","","","","","1.127","","","","has coordinates,has Fobs","141456","2020-10-21","18:00:00",""
"2020037","6.9826","0.0014","14.909","0.003","10.417","0.002","90","","99.3","0.03","90","","1070.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]]","","- C7 H10 Cd Cl2 N2 O2 -","- C7 H10 Cd Cl2 N2 O2 -","- C28 H40 Cd4 Cl8 N8 O8 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0236","0.0201","","","0.051","0.0526","","","","","","1.095","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020038","15.338","0.003","6.1963","0.0012","20","0.008","90","","121.09","0.02","90","","1627.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[aquacadmium(II)]-bis(μ-4-aminobenzoato)-\ κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>] monohydrate]","","- C14 H16 Cd N2 O6 -","- C14 H16 Cd N2 O6 -","- C56 H64 Cd4 N8 O24 -","4","0.5","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0311","0.0299","","","0.0796","0.0807","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020039","21.143","0.004","8.0696","0.0016","21.473","0.004","90","","90","","90","","3663.6","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C38 H34 Cd2 N6 O8 -","- C38 H34 Cd2 N6 O8 -","- C152 H136 Cd8 N24 O32 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0372","0.0304","","","0.0661","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","141457","2020-10-21","18:00:00",""
"2020040","14.1963","0.0008","14.8203","0.0009","18.7386","0.0009","90","","102.663","0.005","90","","3846.6","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-1'-{<i>N</i>-[1-(Anthracen-9-yl)-2-(<i>tert</i>-butylamino)-2-oxoethyl]-<i>N</i>-(4-methoxyphenyl)carbamoyl}ferrocene-1-carboxylic acid dichloromethane disolvate","","- C41 H40 Cl4 Fe N2 O5 -","- C41 H40 Cl4 Fe N2 O5 -","- C164 H160 Cl16 Fe4 N8 O20 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.1111","0.0638","","","0.1231","0.1588","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020041","13.0787","0.0003","14.4271","0.0004","16.1873","0.0004","90","","93.491","0.002","90","","3048.68","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-2-(Anthracen-9-yl)-<i>N</i>-<i>tert</i>-butyl-2-[<i>N</i>-(4-methylphenyl)ferrocenylformamido]acetamide","","- C38 H36 Fe N2 O2 -","- C38 H36 Fe N2 O2 -","- C152 H144 Fe4 N8 O8 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.0596","0.0413","","","0.0802","0.0908","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020049","10.174","0.002","20.843","0.004","13.274","0.003","90","","100.4","0.03","90","","2768.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ-1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] dimethylformamide monosolvate pentahydrate]","","- C23 H31 N5 O12 Zn -","- C23 H31 N5 O12 Zn -","- C92 H124 N20 O48 Zn4 -","4","1","","Huang, Qiu-Ying; Yang, Yi; Meng, Xiang-Ru","A new two-dimensional Zn^II^ coordination polymer constructed by a multidentate N-heterocyclic ligand and 5-carboxybenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013224","","","0.71073","MoKα","","0.0694","0.0598","","","0.1444","0.1517","","","","","","1.064","","","","has coordinates,has Fobs","152104","2020-10-21","18:00:00",""
"2020050","5.4","0.0016","5.6093","0.0017","9.132","0.003","80.688","0.006","72.99","0.005","80.08","0.005","258.73","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimercury(II) divanadium(V) ditellurium(IV) undecaoxide","","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","1","0.5","KY3085","Weil, Matthias","A linear bridging angle in the pyrovanadate group within the crystal structure of Hg~2~V~2~Te~2~O~11~","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013406","","","0.71073","MoKα","","0.028","0.0269","","","0.0656","0.0661","","","","","","1.044","","","","has coordinates,has Fobs","152105","2020-10-21","18:00:00",""
"2020051","8.4892","0.0001","12.1555","0.0002","12.0631","0.0002","90","","90","","90","","1244.8","0.03","300","2","299.93","","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","0.5","LG3170","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0201","0.0193","","","0.0521","0.0529","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","152106","2020-10-21","18:00:00",""
"2020052","16.7032","0.0006","12.0743","0.0004","12.0288","0.0004","90","","90","","90","","2425.96","0.14","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C48 H144 Cl8 Co8 N48 O32 -","8","1","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0194","0.0179","","","0.0548","0.0563","","","","","","1.074","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020053","8.856","0.004","11.95","0.005","11.75","0.004","90","","90","0.013","90","","1243.5","0.9","100","","100","","","","","","","","","6","A 2 1 1","A 2y","5","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0365","0.0337","","","0.0687","0.0701","","","","","","1.053","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020054","8.887","0.006","9.118","0.005","10.099","0.004","111.034","0.013","115.407","0.009","92.872","0.013","669.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridobismuth(III)]-μ~3~-1,10-phenanthroline-2,9-dicarboxylato-κ^5^<i>O</i>^2^:<i>N</i>^1^,<i>N</i>^10^,<i>O</i>^9^:<i>O</i>^9^]","","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","1","0.5","KU3161","Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu","A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501308X","","","0.71073","MoKα","","0.0308","0.0272","","","0.0666","0.0684","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2020055","16.4083","0.0009","17.639","0.002","21.6604","0.0013","90","","94.477","0.006","90","","6250","0.9","100","0.2","100","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[copper(I)-μ-1,3-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propane] methanesulfonate dichloromethane 0.6-solvate]","","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C212.8 H153.6 Cl9.6 Cu8 F24 N48 O40 S24 -","8","1","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0767","0.0554","","","0.1491","0.1648","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020056","11.1554","0.0008","11.509","0.0009","13.6722","0.0011","68.55","0.008","81.603","0.006","76.089","0.006","1582.6","0.2","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1.5/1)","","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0934","0.0669","","","0.1735","0.1983","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020057","11.2499","0.0011","11.5798","0.0011","13.6976","0.0015","67.635","0.01","81.106","0.009","75.524","0.008","1594.3","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(perchlorate)‒dichloromethane‒methanol (1/2/1)","","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.1627","0.0855","","","0.1923","0.2513","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","152108","2020-10-21","18:00:00",""
"2020058","9.5274","0.0008","15.4463","0.0013","12.7366","0.0011","90","","98.731","0.001","90","","1852.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tris(diglyme-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')potassium 1,2-dihydrocorannulenide","Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']potassium hexacyclo[11.5.2.0^4,17^.0^7,16^.0^10,15^.0^14,18^]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide","","- C38 H54 K O9 -","- C38 H54 K O9 -","- C76 H108 K2 O18 -","2","1","FA3372","Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A.","Monoreduced 1,2-dihydrocorannulene <i>versus</i> the parent corannulene","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013145","","","0.71073","MoKα","","0.1038","0.0666","","","0.156","0.1774","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","152109","2020-10-21","18:00:00",""
"2020059","10.334","0.0002","15.9714","0.0004","25.3074","0.0007","90","","93.277","0.001","90","","4170.12","0.18","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[]bis(methanolato-κ<i>O</i>)[μ~5~-5,10,15,20-tetrakis(pyridin-4-yl)porphyrin-κ^8^1κ<i>N</i>^5^:1'κ<i>N</i>^10^:1''κ<i>N</i>^15^:1'''κ<i>N</i>^20^:2κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(I)tin(II)] dichloridocuprate(I)],","","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C168 H120 Cl8 Cu8 N32 O8 Sn4 -","4","1","YO3011","Titi, Hatem M.; Goldberg, Israel","Diamondoid framework solid with Sn(OCH~3~)~2~‒tetrapyridylporphyrin linkers, Cu^I^ nodes and [Cu^I^Cl~2~]^{-^} counter-ions","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013327","","","0.71073","MoKα","","0.0619","0.0499","","","0.1304","0.1353","","","","","","1.039","","","","has coordinates,has Fobs","152110","2020-10-21","18:00:00",""
"2020060","9.5268","0.0012","13.0566","0.0017","13.4593","0.0017","94.401","0.002","97.385","0.002","107.762","0.002","1569.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 4'-(4-bromophenyl)-1''-methyl-2,2''-dioxo-5'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C36 H31 Br N2 O5 -","- C36 H31 Br N2 O5 -","- C72 H62 Br2 N4 O10 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.1187","0.0664","","","0.1714","0.2032","","","","","","0.991","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020061","9.0986","0.0007","9.7185","0.0007","16.5056","0.0013","78.915","0.001","75.763","0.001","67.687","0.001","1300.77","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","5'-(4-Bromophenyl)-1,1''-dimethyl-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C32 H25 Br N2 O3 -","- C32 H25 Br N2 O3 -","- C64 H50 Br2 N4 O6 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.0573","0.0413","","","0.101","0.1089","","","","","","1.024","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020062","10.1226","0.0009","14.3682","0.0013","21.353","0.002","90","","91.799","0.002","90","","3104.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 1''-methyl-2,2''-dioxo-4'-phenyl-5'-(<i>p</i>-tolyl)-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C37 H34 N2 O5 -","- C37 H34 N2 O5 -","- C148 H136 N8 O20 -","4","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.059","0.049","","","0.1266","0.1344","","","","","","1.036","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020063","7.7042","0.0015","14.457","0.003","17.549","0.004","90","","90","","90","","1954.6","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Poly[4-dimethylamino-1-ethylpyridin-1-ium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C15 H15 Cd N11 -","- C15 H15 Cd N11 -","- C60 H60 Cd4 N44 -","4","0.5","YO3009","Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li","A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013315","","","0.71073","MoKα","","0.0602","0.0448","","","0.0923","0.0982","","","","","","1.188","","","","has coordinates,has Fobs","152267","2020-10-21","18:00:00",""
"2020064","10.44","0.002","7.7444","0.0015","18.161","0.004","90","","95.16","0.03","90","","1462.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Cd N O -","- C8 H20 Br3 Cd N O -","- C32 H80 Br12 Cd4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0582","0.0446","","","0.0985","0.1037","","","","","","1.213","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020065","10.373","0.002","7.862","0.0016","17.984","0.004","90","","94.85","0.03","90","","1461.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Hg N O -","- C8 H20 Br3 Hg N O -","- C32 H80 Br12 Hg4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0763","0.0492","","","0.1028","0.1115","","","","","","1.115","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020066","11.873","0.0006","5.2291","0.0002","15.3459","0.0009","90","","106.602","0.004","90","","913.03","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(<i>L</i>-cysteinium) <i>L</i>-cysteine difluoride hydrogen fluoride","Bis(<i>L</i>-cysteinium) difluoride‒<i>L</i>-cysteine‒hydrogen fluoride (1/1/1)","","- C9 H24 F3 N3 O6 S3 -","- C9 H24 F3 N3 O6 S3 -","- C18 H48 F6 N6 O12 S6 -","2","1","YF3089","Minkov, V. S.; Ghazaryan, V. V.; Boldyreva, E. V.; Petrosyan, A. M.","Unusual hydrogen bonding in <small>L</small>-cysteine hydrogen fluoride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013601","","","0.71073","MoKα","","0.0334","0.0288","","","0.0626","0.0638","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020067","7.994","0.0004","9.0648","0.0004","10.7692","0.0006","109.136","0.004","109.397","0.004","97.32","0.004","670.52","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.094","0.0515","","","0.1257","0.1503","","","","","","1.002","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020068","12.2264","0.0011","9.8581","0.0007","15.8735","0.0013","90","","112.129","0.01","90","","1772.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4<i>H</i>)-one","","- C9 H7 N O2 S -","- C9 H7 N O2 S -","- C72 H56 N8 O16 S8 -","8","2","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0748","0.0437","","","0.0948","0.1107","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020069","8.846","0.0002","9.9951","0.0002","11.2435","0.0002","114.481","0.001","98.564","0.001","105.891","0.001","830.15","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-phenyl-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C20 H15 N3 O S -","- C20 H15 N3 O S -","- C40 H30 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0568","0.0409","","","0.1021","0.1131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020070","9.1697","0.0005","10.7939","0.0005","11.0837","0.0006","66.424","0.002","66.147","0.003","67.934","0.002","889.13","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C42 H34 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0506","0.0436","","","0.0938","0.1001","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020071","8.2717","0.0002","17.453","0.0003","23.3501","0.0005","90","","90","","90","","3370.96","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C19 H13 N3 O S2 -","- C19 H13 N3 O S2 -","- C152 H104 N24 O8 S16 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0543","0.0428","","","0.1098","0.1195","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020072","16.6123","0.0003","9.7589","0.0002","17.7543","0.0004","90","","90","","90","","2878.29","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (2<i>Z</i>)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0632","0.0454","","","0.1066","0.1177","","","","","","1.065","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020073","7.1457","0.0014","26.002","0.005","10.043","0.002","90","","94.36","0.03","90","","1860.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κ^4^<i>N</i>)octakis-μ~2~-thiocyanato-κ^8^<i>N</i>:<i>S</i>;κ^8^<i>S</i>:<i>N</i>-tricadmium(II)]","","- C24 H28 Cd3 N14 S8 -","- C24 H28 Cd3 N14 S8 -","- C48 H56 Cd6 N28 S16 -","2","0.5","KU3162","Wang, Hui-Ting; Li, Qiang; Zhou, Lin","A two-dimensional cadmium(II) coordination polymer based on 1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S205322961501431X","","","0.71073","MoKα","","0.0575","0.0391","","","0.0622","0.0666","","","","","","1.078","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020074","10.3336","0.0004","14.3984","0.001","15.2649","0.0008","90.673","0.005","98.12","0.004","110.761","0.005","2097.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(dimethylformamide-κ<i>O</i>)[μ~3~-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^](methanol-κ<i>O</i>)manganese(III)] dimethylformamide monosolvate]","","- C47 H41 Mn N3 O9 -","- C47 H41 Mn N3 O9 -","- C94 H82 Mn2 N6 O18 -","2","1","DT3035","Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing","A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014217","","","0.71073","MoKα","","0.0762","0.0463","","","0.0921","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","153017","2020-10-21","18:00:00",""
"2020075","10.7466","0.0003","10.7589","0.0003","15.0842","0.0004","103.436","0.002","93.315","0.002","108.019","0.002","1597.19","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl","","- C44 H34 O2 -","- C44 H34 O2 -","- C88 H68 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0779","0.0422","","","0.097","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020076","9.1196","0.0005","9.5474","0.0005","11.992","0.0006","105.682","0.002","90.853","0.002","117.642","0.002","878.39","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C47 H41 N O3 -","- C47 H41 N O3 -","- C47 H41 N O3 -","1","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0721","0.0703","","","0.1988","0.2001","","","","","","1.067","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020077","9.4052","0.0003","13.1823","0.0005","15.6828","0.0005","79.371","0.002","80.965","0.002","74.371","0.002","1828.49","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl","","- C48 H42 O2 -","- C48 H42 O2 -","- C96 H84 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0932","0.0474","","","0.0991","0.1194","","","","","","1.003","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020078","8.9604","0.0003","10.8542","0.0004","22.0219","0.0008","92.689","0.002","93.978","0.002","113.2","0.002","1957.42","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C51 H49 N O3 -","- C51 H49 N O3 -","- C102 H98 N2 O6 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0686","0.0477","","","0.1255","0.1419","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","153310","2020-10-21","18:00:00",""
"2020079","7.9452","0.0002","14.2079","0.0004","17.8589","0.0005","83.687","0.002","78.583","0.002","76.417","0.002","1916.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl acetonitrile monosolvate","","- C50 H45 N O2 -","- C50 H45 N O2 -","- C100 H90 N2 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.1003","0.0582","","","0.1368","0.1591","","","","","","1.02","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020080","10.2561","0.0018","17.088","0.003","22.205","0.004","90","","90","","90","","3891.6","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II)","","- C18 H17 Co I N4 O4 -","- C18 H17 Co I N4 O4 -","- C144 H136 Co8 I8 N32 O32 -","8","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.0756","0.04","","","0.0789","0.0895","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020081","7.991","0.0009","17.8363","0.0019","18.2004","0.0017","90","","110.08","0.004","90","","2436.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-iodobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] trihydrate]","","- C18 H23 I N4 O7 Zn -","- C18 H23 I N4 O7 Zn -","- C72 H92 I4 N16 O28 Zn4 -","4","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.1309","0.0646","","","0.1735","0.2161","","","","","","0.973","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020082","10.0302","0.0003","10.6172","0.0003","16.2428","0.0006","90","","90","","90","","1729.74","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C13 H22 N2 S Si2 -","- C13 H22 N2 S Si2 -","- C52 H88 N8 S4 Si8 -","4","1","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.0975","0.0479","","","0.0883","0.1041","","","","","","1.012","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020083","9.8057","0.0002","15.8032","0.0004","15.8658","0.0005","90","","93.859","0.001","90","","2453.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Trimethylsilyl-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C10 H14 N2 S Si -","- C10 H14 N2 S Si -","- C80 H112 N16 S8 Si8 -","8","2","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.1082","0.0493","","","0.1139","0.1376","","","","","","1.002","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020084","7.4534","0.0003","17.4357","0.0005","10.7079","0.0004","90","","101.479","0.004","90","","1363.71","0.09","100.4","0.6","100.4","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","DT3034","Rodríguez-Lugo, Rafael E.; Urdaneta, Neudo; Pribanic, Bruno; Landaeta, Vanessa R.","The solid-state emmissive chalcone (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014205","","","0.71073","MoKα","","0.0615","0.0497","","","0.1149","0.1209","","","","","","1.107","","","","has coordinates,has Fobs","153367","2020-10-21","18:00:00",""
"2020086","8.9219","0.0005","12.4145","0.0007","15.565","0.0009","89.659","0.003","79.993","0.004","76.92","0.003","1652.72","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)] tetrahydrofuran disolvate","","- C22 H48 B20 Co2 O2 -","- C22 H48 B20 Co2 O2 -","- C44 H96 B40 Co4 O4 -","2","1","KY3086","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0683","0.044","","","0.0991","0.1095","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","153455","2020-10-21","18:00:00",""
"2020087","43.247","0.005","8.8497","0.0009","13.4476","0.0014","90","","90.104","0.006","90","","5146.7","1","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>meso</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)]","","- C14 H32 B20 Co2 -","- C14 H32 B20 Co2 -","- C112 H256 B160 Co16 -","8","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0987","0.0873","","","0.1521","0.1565","","","","","","1.253","","","","has coordinates,has Fobs","153455","2020-10-21","18:00:00",""
"2020088","13.6198","0.0019","13.962","0.002","26.646","0.004","85.035","0.002","89.776","0.002","86.223","0.002","5037","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[sesqui(μ~2~-4,4'-bipyridine)bis(dimethylformamide)bis(μ~4~-4,4',4''-nitrilotribenzoato)trizinc(II)]","","- C63 H50 N7 O14 Zn3 -","- C63 H50 N7 O14 Zn3 -","- C126 H100 N14 O28 Zn6 -","2","1","YO3010","Zhao, Meng; Su, Jian; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","A zinc(II) metal‒organic framework with a novel topology formed from 4,4',4''-nitrilotribenzoate and 4,4'-bipyridine ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014813","","","0.71073","MoKα","","0.1003","0.0709","","","0.2014","0.2163","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","153456","2020-10-21","18:00:00",""
"2020089","23.198","0.003","26.327","0.003","7.288","0.001","90","","90","","90","","4451","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H16 N6 O -","- C8 H16 N6 O -","- C128 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0787","0.066","","","0.1531","0.1589","","","","","","1.136","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020090","23.178","0.002","26.3327","0.0017","7.3428","0.0005","90","","90","","90","","4481.6","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H16 N6 O -","- C9 H16 N6 O -","- C144 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0613","0.0519","","","0.1007","0.1034","","","","","","1.216","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020091","5.0318","0.0007","8.5779","0.0011","15.008","0.002","93.929","0.011","96.214","0.011","100.121","0.011","631.41","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-6-methyl-1,3,5-triazine‒2,6-dichlorophenol (1/1)","","- C10 H11 Cl2 N5 O -","- C10 H11 Cl2 N5 O -","- C20 H22 Cl4 N10 O2 -","2","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0484","0.0332","","","0.0766","0.0809","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","153656","2020-10-21","18:00:00",""
"2020092","8.1456","0.0005","9.2289","0.0006","14.9731","0.0009","90","","96.463","0.005","90","","1118.45","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminoisocytosine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H15 N5 O2 -","- C9 H15 N5 O2 -","- C36 H60 N20 O8 -","4","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0694","0.065","","","0.1752","0.179","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020093","8.106","0.0005","9.0448","0.0005","12.5656","0.0008","90","","102.859","0.005","90","","898.17","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aminoisocytosine‒2,6-dichloroaniline‒<i>N</i>,<i>N</i>-dimethylacetamide","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒2,6-dichloroaniline‒\ <i>N</i>,<i>N</i>-dimethylacetamide (1/1/1)","","- C14 H20 Cl2 N6 O2 -","- C14 H20 Cl2 N6 O2 -","- C28 H40 Cl4 N12 O4 -","2","1","","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0332","0.0305","","","0.079","0.08","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020094","24.174","0.005","9.85","0.002","7.6135","0.0015","90","","92.44","0.03","90","","1811.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[bis(nicotinic acid-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium(II)] monohydrate]","","- C14 H12 Cd N4 O5 S2 -","- C14 H12 Cd N4 O5 S2 -","- C56 H48 Cd4 N16 O20 S8 -","4","0.5","YO3012","Zhou, Lin; Wang, Hui-Ting","A two-dimensional cadmium(II) polymer based on nicotinic acid and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015156","","","0.71073","MoKα","","0.0377","0.03","","","0.0813","0.0854","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020095","11.144","","11.599","","13.529","","104.05","","97.18","","108.05","","1574.49","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","","- C26 H32 Cd2 N2 O17 -","- C26 H32 Cd2 N2 O17 -","- C52 H64 Cd4 N4 O34 -","2","1","OV3061","Liu, Fang; Zhang, Jing-Jing; Lei, Ming-Yuan; Zhang, Qing-Fu","A two-dimensional cadmium(II) coordination polymer based on 5-(pyridin-4-yl)isophthalic acid: poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","Acta Crystallographica Section C","2015","71","9","834","838","10.1107/S2053229615015612","","","0.71073","MoKα","","0.162","0.0743","","","0.1463","0.1951","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020096","5.4126","0.0002","12.7656","0.0005","22.6827","0.0008","90","","90","","90","","1567.26","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0479","0.0368","","","0.0746","0.0817","","","","","","1.06","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020097","7.5484","0.0007","9.9887","0.001","11.2112","0.001","100.624","0.008","98.405","0.007","95.661","0.008","815.01","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C32 H26 Cl2 N4 O8 S2 -","2","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0776","0.0442","","","0.0961","0.1168","","","","","","1.022","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020098","5.5652","0.0002","25.5022","0.0012","11.5536","0.0005","90","","97.8","0.004","90","","1624.57","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0563","0.0398","","","0.0911","0.1009","","","","","","1.037","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020099","11.8547","0.0005","13.5312","0.0004","15.3394","0.0006","91.849","0.003","98.378","0.003","94.991","0.003","2422.56","0.16","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline acetonitrile hemisolvate","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate","","- C25 H31.5 N3.5 P S -","- C25 H31.5 N3.5 P S -","- C100 H126 N14 P4 S4 -","4","2","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.059","0.0419","","","0.0485","0.0526","","","","","","1.45","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2020100","14.2245","0.0002","14.2802","0.0003","14.8887","0.0003","90","","109.293","0.0016","90","","2854.48","0.1","119.97","0.1","119.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline‒3-methylpiperidinium chloride (1/1)","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(4-methylphenyl)phosphorothioic triamide‒3-methylpiperidinium chloride (1/1)","","- C27 H38 Cl N4 P S -","- C27 H38 Cl N4 P S -","- C108 H152 Cl4 N16 P4 S4 -","4","1","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.0325","0.0288","","","0.0908","0.0941","","","","","","1.76","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020101","8.1452","0.0016","9.6282","0.0019","11.736","0.002","105.69","0.03","98.02","0.03","111.68","0.03","793.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaqua-1κ^2^<i>O</i>-tetrakis(μ~3~-pyridine-2,3-dicarboxylato)-2:1:2'κ^10^<i>N</i>,<i>O</i>^2^:O</i>^2'^,O</i>^3^:O</i>^3'^;2:1:2'κ^8^<i>O</i>^3^:O</i>^3'^:<i>N</i>,O</i>^2^-diiron(III)strontium(II)] dihydrate]","","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","1","0.5","WQ3100","Yang, Yongfeng; Li, Tao; Chen, Yanmei","The first three-dimensional Fe^III^‒Sr^II^ heterometallic coordination polymer: poly[[diaquatetrakis(μ~3~-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016617","","","0.71073","MoKα","","0.0395","0.0276","","","0.0654","0.0709","","","","","","1.019","","","","has coordinates","158187","2020-10-21","18:00:00",""
"2020102","10.9815","0.0009","10.8697","0.001","11.1525","0.0009","90","","111.135","0.009","90","","1241.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DABCO BrCF2CF2Br adduct","1,2-Dibromo-1,1,2,2-tetrafluoroethane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C8 H12 Br2 F4 N2 -","- C8 H12 Br2 F4 N2 -","- C32 H48 Br8 F16 N8 -","4","0.5","YF3093","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016472","","","0.71073","MoKα","","0.0519","0.0367","","","0.0622","0.0688","","","","","","1.029","","","","has coordinates,has Fobs","158188","2020-10-21","18:00:00",""
"2020103","7.7531","0.001","15.2639","0.0019","16.29","0.002","100.775","0.001","98.323","0.001","99.464","0.001","1837.1","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Diaqua[1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pent-1-en-3-ol]cobalt(II) dinitrate dihydrate","","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","1","0.5","LF3016","Xi, Teng; Li, Jie; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","A new Co^II^ complex of diniconazole: synthesis, crystal structure and antifungal activity","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016241","","","0.71073","MoKα","","0.0402","0.0341","","","0.1149","0.1339","","","","","","1.106","","","","has coordinates,has Fobs","158189","2020-10-21","18:00:00",""
"2020104","13.0174","0.0004","14.3273","0.0008","24.1557","0.0013","80.946","0.004","79.029","0.004","87.039","0.003","4366.6","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[K(222)][Fe(TpivPP)Cl](C6H14)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(I) [5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato]iron(II) n-hexane monosolvate","","- C88 H114 Cl Fe K N10 O10 -","- C88 H114 Cl Fe K N10 O10 -","- C176 H228 Cl2 Fe2 K2 N20 O20 -","2","1","FN3203","Yu, Qiang; Liu, Diansheng; Li, Xiangjun; Li, Jianfeng","A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-pivalamidophenyl)porphyrinato]ferrate(II) <i>n</i>-hexane monosolvate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015478","","","0.71073","MoKα","","0.1262","0.0685","","","0.1411","0.1681","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2020105","11.5408","0.0002","11.7953","0.0002","9.7964","0.0002","90","","110.299","0.002","90","","1250.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acrylamido-2,2,6,6-tetramethylpiperidine-1-oxyl","","- C12 H21 N2 O2 -","- C12 H21 N2 O2 -","- C48 H84 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.038","0.0341","","","0.0831","0.087","","","","","","1.035","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020106","11.9763","0.0003","10.3132","0.0002","11.855","0.0003","90","","114.527","0.003","90","","1332.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate","","- C12 H24 N2 O2 -","- C12 H24 N2 O2 -","- C48 H96 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.0727","0.0567","","","0.13","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020107","14.1011","0.001","14.1011","0.001","10.085","0.0009","90","","90","","120","","1736.7","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V)","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0292","0.0263","","","0.0635","0.0649","","","","","","1.051","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020108","14.0782","0.001","14.0782","0.001","10.623","0.0008","90","","90","","120","","1823.4","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)caesium hexachloridoantimonate(V)","","- C12 H24 Cl6 Cs O6 Sb -","- C12 H24 Cl6 Cs O6 Sb -","- C36 H72 Cl18 Cs3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0353","0.031","","","0.0761","0.0789","","","","","","1.09","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020109","14.1069","0.0009","14.1069","0.0009","10.1908","0.0008","90","","90","","120","","1756.3","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","Ammonium hexachloridoantimonate(V)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C12 H28 Cl6 N O6 Sb -","- C12 H28 Cl6 N O6 Sb -","- C36 H84 Cl18 N3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0236","0.0217","","","0.0547","0.0556","","","","","","1.135","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020110","5.6396","0.0004","16.3917","0.0011","16.9602","0.0012","69.427","0.004","89.995","0.005","87.286","0.005","1465.98","0.18","100","2","100","2","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-Amphetamine hydrochloride","(2<i>S</i>)-1-Phenylpropan-2-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C54 H84 Cl6 N6 -","6","6","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71073","MoKα","","0.0638","0.0547","","","0.1252","0.1293","","","","","","1.031","","","","has coordinates,has Fobs","158193","2020-10-21","18:00:00",""
"2020111","5.2366","0.0004","8.4264","0.0005","11.3895","0.0008","90","","94.079","0.002","90","","501.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>S</i>)-Amphetamine hydrobromide","(2<i>S</i>)-1-Phenylpropan-2-aminium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C18 H28 Br2 N2 -","2","1","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71069","MoKα","","0.02","0.0197","","","0.0513","0.0515","","","","","","1.082","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020112","7.6647","0.0005","26.6935","0.0014","7.535","0.0005","90","","111.787","0.007","90","","1431.52","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~2~-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^)dicadmium(II)] dihydrate]","","- C20 H28 Cd2 N10 O14 -","- C20 H28 Cd2 N10 O14 -","- C40 H56 Cd4 N20 O28 -","2","0.5","LF3020","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0365","0.0301","","","0.0734","0.0767","","","","","","1.106","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020113","7.0219","0.0014","8.4215","0.0017","10.913","0.002","81.75","0.03","84.05","0.03","75.12","0.03","615.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~2~-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~3~-pyrazine-2,3-dicarboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3'^)dicadmium(II)] dihydrate]","","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","1","0.5","","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0469","0.0294","","","0.0649","0.0704","","","","","","0.944","","","","has coordinates,has Fobs","158194","2020-10-21","18:00:00",""
"2020114","7.334","0.0001","9.911","0.0001","12.68","0.0002","90","","96.649","0.001","90","","915.48","0.02","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetyl-4-hydroxycoumarin","3-Acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","QS3049","Ghouili, Afef; Brahmia, Ameni; Ben Hassen, Rached","Polymorphism in 3-acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016083","","","0.71073","MoKα","","0.1017","0.0561","","","0.1651","0.1987","","","","","","1.047","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020115","14.46","0.003","21.116","0.004","19.607","0.004","90","","94","0.03","90","","5972","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis[6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolato-1:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;3:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]trizinc(II) hexafluoridophosphate methanol monosolvate","","- C57 H56 F12 N8 O5 P2 Zn3 -","- C57 H56 F12 N8 O5 P2 Zn3 -","- C228 H224 F48 N32 O20 P8 Zn12 -","4","1","YO3013","Kim, Young-Inn; Song, Young-Kwang; Kim, Daeyoung; Kang, Sung Kwon","Photoluminescence properties of a cationic trinuclear zinc(II) complex with the tetradentate Schiff base ligand 6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615017015","","","0.71073","MoKα","","0.1872","0.0709","","","0.1629","0.2137","","","","","","1.01","","","","has coordinates,has Fobs","158197","2020-10-21","18:00:00",""
"2020116","13.6864","0.0005","20.6309","0.0009","14.1328","0.0008","90","","90","","90","","3990.6","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(tetraethylammonium) dichloride dodecachlorohexasilane","","- C16 H40 Cl14 N2 Si6 -","- C16 H40 Cl14 N2 Si6 -","- C64 H160 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0597","0.0375","","","0.0645","0.0702","","","","","","1.016","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020117","11.1071","0.0009","14.3992","0.0012","16.7434","0.0012","89.672","0.006","88.689","0.006","89.854","0.006","2677.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrabutylammonium tributylmethylammonium dichloride dodecachlorohexasilane","","- C29 H66 Cl14 N2 Si6 -","- C29 H66 Cl14 N2 Si6 -","- C58 H132 Cl28 N4 Si12 -","2","1","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0874","0.053","","","0.121","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020118","15.4687","0.0004","18.5439","0.0005","22.8784","0.0007","90","","90","","90","","6562.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetrabutylammonium) dichloride dodecachlorohexasilane benzene disolvate","","- C44 H84 Cl14 N2 Si6 -","- C44 H84 Cl14 N2 Si6 -","- C176 H336 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0745","0.0578","","","0.1398","0.1499","","","","","","1.079","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020119","11.0097","0.0017","12.7082","0.0018","13.0269","0.0018","61.618","0.01","72.804","0.011","71.605","0.011","1498.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzyltriphenylphosphonium) dichloride dodecachlorohexasilane","","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","1","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.136","0.0711","","","0.1426","0.165","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","158198","2020-10-21","18:00:00",""
"2020120","4.701","0.0003","4.701","0.0003","7.5431","0.0011","90","","90","","120","","144.36","0.02","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lanthanum trilithium dibismuthide","","- Bi2 La Li3 -","- Bi2 La Li3 -","- Bi2 La Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0131","0.0125","","","0.0259","0.0261","","","","","","1.156","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020121","4.679","0.0006","4.679","0.0006","7.4776","0.0017","90","","90","","120","","141.77","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cerium trilithium dibismuthide","","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0138","0.0126","","","0.026","0.0261","","","","","","1.171","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020122","4.6672","0.0007","4.6672","0.0007","7.435","0.002","90","","90","","120","","140.26","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Praseodymium trilithium dibismuthide","","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0155","0.0147","","","0.0268","0.0269","","","","","","1.221","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020123","4.6596","0.0008","4.6596","0.0008","7.422","0.002","90","","90","","120","","139.56","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Neodymium trilithium dibismuthide","","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0247","0.0218","","","0.0412","0.0419","","","","","","1.132","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020124","4.6398","0.0005","4.6398","0.0005","7.3624","0.0016","90","","90","","120","","137.26","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Samarium trilithium dibismuthide","","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0162","0.0154","","","0.0336","0.0342","","","","","","1.17","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020125","4.6188","0.0007","4.6188","0.0007","7.328","0.002","90","","90","","120","","135.39","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gadolinium trilithium dibismuthide","","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0266","0.0233","","","0.0467","0.0475","","","","","","1.084","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020126","4.6165","0.0009","4.6165","0.0009","7.3087","0.0014","90","","90","","120","","134.9","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Terbium trilithium dibismuthide","","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0185","0.0184","","","0.0393","0.0394","","","","","","1.174","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020129","4.8929","0.0003","4.4195","0.0002","14.1348","0.0007","90","","92.721","0.003","90","","305.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Iodouracil","5-Iodo-1<i>H</i>-pyrimidine-2,4-dione","","- C4 H3 I N2 O2 -","- C4 H3 I N2 O2 -","- C8 H6 I2 N4 O4 -","2","1","SK3601","Lutz, Martin; de Klein, Thomas J. S.; Huijben, Jeroen","5-Iodouracil: structure of a reflection twin","Acta Crystallographica Section C","2015","71","10","912","915","10.1107/S2053229615017167","","","0.71073","MoKα","","0.0211","0.0189","","","0.0449","0.0455","","","","","","1.087","","","","has coordinates,has Fobs","159066","2020-10-21","18:00:00",""
"2020130","12.4152","0.001","8.9071","0.0006","16.5072","0.0012","90","","107.194","0.002","90","","1743.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-cyano-5-oxo-5-phenyl-3-(piperidin-1-yl)pent-2-enoate","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","FN3205","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.101","0.0518","","","0.1198","0.1403","","","","","","1.024","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020131","8.3337","0.0007","8.6333","0.0007","24.7075","0.0019","90","","90","","90","","1777.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-cyano-5-(4-methoxyphenyl)-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0809","0.0472","","","0.0976","0.1096","","","","","","1.013","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020132","4.952","0.0003","13.6151","0.0007","25.8916","0.0015","90","","90","","90","","1745.66","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-(4-chlorophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C19 H21 Cl N2 O3 -","- C19 H21 Cl N2 O3 -","- C76 H84 Cl4 N8 O12 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0405","0.0336","","","0.0808","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020202","14.063","0.002","17.869","0.003","7.877","0.0012","90","","100.296","0.002","90","","1947.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}-bis(methanylylidene))bis(thiosemicarbazide)","","- C18 H20 N6 O2 S2 -","- C18 H20 N6 O2 S2 -","- C72 H80 N24 O8 S8 -","4","0.5","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0377","0.0343","","","0.0942","0.0973","","","","","","1.077","","","","has coordinates,has Fobs","167920","2020-10-21","18:00:00",""
"2020203","11.6081","0.0016","18.136","0.003","14.186","0.002","90","","101.801","0.002","90","","2923.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2- phenylene)}bis(methanylylidene))bis(thiosemicarbazide) bis(N,N-dimethylformamide) solvate","","- C24 H34 N8 O4 S2 -","- C24 H34 N8 O4 S2 -","- C96 H136 N32 O16 S8 -","4","1","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0481","0.0394","","","0.1051","0.1107","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","167920","2020-10-21","18:00:00",""
"2020204","8.356","0.0003","26.8244","0.001","11.8293","0.0004","90","","109.73","0.001","90","","2495.82","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfameter III","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","2","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0572","0.0405","","","0.1002","0.1108","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020205","8.0609","0.0003","19.5195","0.0007","11.2668","0.0004","90","","98.672","0.001","90","","1752.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfameter dioxane solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide 1,4-dioxane monosolvate","","- C15 H20 N4 O5 S -","- C15 H20 N4 O5 S -","- C60 H80 N16 O20 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0848","0.0742","","","0.223","0.2413","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020206","8.0255","0.0002","19.1956","0.0005","11.1829","0.0003","90","","98.886","0.001","90","","1702.1","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.05","0.0438","","","0.1195","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020207","8.88472","0.00016","12.2592","0.0002","23.7676","0.0007","90","","90","","90","","2588.76","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose pentahydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose pentahydrate","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0343","0.0321","","","0.0768","0.0785","","","","","","1.078","","","","has coordinates,has Fobs","167922","2020-10-21","18:00:00",""
"2020208","8.91348","0.00016","12.2915","0.0002","23.6567","0.0007","90","","90","","90","","2591.83","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose 4.433-hydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.433-hydrate","","- C18 H40.866 O20.433 -","- C18 H40.866 O20.433 -","- C72 H163.464 O81.732 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0479","0.0461","","","0.1011","0.1018","","","","","","1.19","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020209","8.91926","0.00016","12.3038","0.0002","23.6118","0.0007","90","","90","","90","","2591.18","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.289-hydrate","","- C18 H40.578 O20.289 -","- C18 H40.578 O20.289 -","- C72 H162.312 O81.156 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0438","0.0423","","","0.1038","0.1046","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020210","8.93444","0.00016","12.3196","0.0002","23.6037","0.0004","90","","90","","90","","2598.03","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.127-hydrate","","- C18 H40.254 O20.127 -","- C18 H40.254 O20.127 -","- C72 H161.016 O80.508 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0364","0.0344","","","0.0884","0.0897","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020211","6.5589","0.0002","16.9199","0.0006","12.7585","0.0005","90","","100.69","","90","","1391.31","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dicarbonyldichlorido(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C13 H6 Cl2 N2 O3 Ru -","- C13 H6 Cl2 N2 O3 Ru -","- C52 H24 Cl8 N8 O12 Ru4 -","4","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0314","0.029","","","0.074","0.0758","","","","","","1.013","","","","has coordinates","167923","2020-10-21","18:00:00",""
"2020212","7.458","0.002","9.701","0.002","11.594","0.009","90.43","0.03","108.6","0.04","98.41","0.02","785.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonyldichlorido(4,5-diazafluoren-9-one-κ<i>N</i>)ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C28 H12 Cl4 N4 O8 Ru2 -","2","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0562","0.0372","","","0.0552","0.0596","","","","","","1.127","","","","has coordinates,has Fobs","167923","2020-10-21","18:00:00",""
"2020213","9.882","0.004","11.07","0.003","12.287","0.004","66.194","0.018","78.01","0.02","63.966","0.016","1104.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-)(μ~4~-homophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(pyridine-κ<i>N</i>)dicopper(II)]","","- C19 H16 Cu2 N8 O4 -","- C19 H16 Cu2 N8 O4 -","- C38 H32 Cu4 N16 O8 -","2","1","WQ3099","Ma, Jie; Wang, Deng-Feng; Fan, Li-Qun; Zhou, Kang","Structure and magnetic properties of a copper(II) coordination polymer based on azide, pyridine and homophthalic acid","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018173","","","0.71073","MoKα","","0.0478","0.036","","","0.0851","0.0923","","","","","","1.024","","","","has coordinates,has Fobs","167924","2020-10-21","18:00:00",""
"2020253","10.273","0.002","15.081","0.003","7.7654","0.0016","90","","93.06","0.03","90","","1201.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ~2~-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C9 H12 Cd Cl2 N2 O2 -","- C9 H12 Cd Cl2 N2 O2 -","- C36 H48 Cd4 Cl8 N8 O8 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0328","0.0267","","","0.0584","0.0603","","","","","","1.157","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020254","8.4937","0.0017","8.2364","0.0016","22.015","0.004","90","","91.57","0.03","90","","1539.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane [[dichloridocadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]","","- C10 H17 Cd Cl2 N3 O5 -","- C10 H17 Cd Cl2 N3 O5 -","- C40 H68 Cd4 Cl8 N12 O20 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0704","0.0541","","","0.1418","0.1495","","","","","","1.08","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020255","7.548","0.005","13.066","0.005","15.815","0.005","90","","90","","90","","1559.7","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0462","0.0379","","","0.0953","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020256","6.6616","0.0012","4.8577","0.001","19.099","0.004","90","","99.821","0.006","90","","609","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-Benzyl-5-fluoroindoline-2,3-dione","","- C15 H10 F N O2 -","- C15 H10 F N O2 -","- C30 H20 F2 N2 O4 -","2","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0877","0.0547","","","0.0734","0.08","","","","","","1.162","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020257","8.3961","0.0004","9.8673","0.0005","11.068","0.0007","66.137","0.005","83.459","0.004","79.546","0.004","823.81","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine 3-hydroxypyridin-1-ium-2-carboxylate (1/1)","<i>N</i>^6^-Benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1)","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C36 H28 N12 O8 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0687","0.0477","","","0.1151","0.1299","","","","","","1.036","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020258","7.5844","0.0007","10.0175","0.0009","11.9658","0.001","111.669","0.008","93.488","0.007","98.845","0.007","827.95","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine <i>DL</i>-tartaric acid (1/1)","<i>N</i>^6^-benzoyladenine‒<i>DL</i>-tartaric acid (1/1),","","- C16 H15 N5 O7 -","- C16 H15 N5 O7 -","- C32 H30 N10 O14 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0692","0.0472","","","0.1098","0.1261","","","","","","1.046","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020274","17.966","0.005","17.966","0.005","4.0448","0.0006","90","","90","","120","","1130.7","0.5","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","aluminide","Trigadolinium heptanickel tetradecaaluminide","","- Al14 Gd3 Ni7 -","- Al14 Gd3 Ni7 -","- Al42 Gd9 Ni21 -","3","0.25","KU3165","Pukas, Svitlana; Gladyshevskii, Roman","The new structure type Gd~3~Ni~7~Al~14~","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018082","","","0.71073","MoKα","","0.0322","0.0226","","","0.0296","0.0306","","","","","","0.805","","","","has coordinates,has Fobs","169730","2020-10-21","18:00:00",""
"2020275","9.681","0.0019","10.257","0.002","18.424","0.004","99.16","0.03","101.87","0.03","94.06","0.03","1757.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[zinc(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^3^:<i>N</i>^3'^;<i>N</i>^3'^:<i>N</i>^3^-zinc(II)-bis(μ-benzene-1,2-dicarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^]","","- C38 H28 N8 O8 Zn2 -","- C38 H28 N8 O8 Zn2 -","- C76 H56 N16 O16 Zn4 -","2","1","WQ3101","Huang, Qiu-Ying; Liu, Wei; Yang, Yi; Meng, Xiang-Ru","A new one-dimensional Zn^II^ coordination polymer based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S205322961501966X","","","0.71073","MoKα","","0.0654","0.046","","","0.0862","0.0947","","","","","","1.098","","","","has coordinates,has Fobs","169771","2020-10-21","18:00:00",""
"2020276","10.1099","0.001","11.3367","0.0011","17.0315","0.0017","74.755","0.002","78.503","0.002","65.557","0.002","1705.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,1''-Dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C44 H33 Cl N2 O3 -","- C44 H33 Cl N2 O3 -","- C88 H66 Cl2 N4 O6 -","2","1","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0795","0.0658","","","0.1471","0.1551","","","","","","1.133","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020277","11.983","0.0005","12.926","0.0006","21.5664","0.001","76.33","0.001","76.522","0.001","77.553","0.001","3110.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1''-Acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H29 Cl N2 O4 -","- C39 H29 Cl N2 O4 -","- C156 H116 Cl4 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.1184","0.0681","","","0.1382","0.16","","","","","","1.044","","","","has coordinates","169772","2020-10-21","18:00:00",""
"2020278","9.7565","0.001","16.6868","0.0016","19.9593","0.0019","71.653","0.002","81.657","0.002","89.314","0.002","3049.7","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H30 N2 O4 -","- C39 H30 N2 O4 -","- C156 H120 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.113","0.0698","","","0.1322","0.1489","","","","","","1.093","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020279","9.694","0.0005","18.581","0.001","20.1552","0.0011","114.872","0.002","98.465","0.002","99.397","0.002","3153.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione acetonitrile hemisolvate","","- C40 H31.5 N2.5 O4 -","- C40 H31.5 N2.5 O4 -","- C160 H126 N10 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0849","0.0582","","","0.1325","0.147","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","169772","2020-10-21","18:00:00",""
"2020280","7.9293","0.0008","15.1231","0.0016","10.249","0.0012","90","","100.862","0.006","90","","1207","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1)","Pyrazine-2-carboxamide‒4-aminobenzoic acid (1/1)","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C48 H48 N16 O12 -","4","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0476","0.0366","","","0.0886","0.0954","","","","","","1.053","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020281","6.0535","0.0005","7.4159","0.0006","13.2548","0.001","85.612","0.005","81.9","0.005","66.398","0.005","539.69","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(Pyrazine-2-carboxamido)benzoic acid","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0785","0.0537","","","0.1221","0.1343","","","","","","1.063","","","","has coordinates,has Fobs","169773","2020-10-21","18:00:00",""
"2020283","12.5223","0.0008","7.6646","0.0004","15.1729","0.0013","90","","101.044","0.004","90","","1429.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","OV3068","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","(5<i>RS</i>)-6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]: efficient synthesis under mild conditions, molecular structure and supramolecular assembly","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615020136","","","0.71073","MoKα","","0.0596","0.0451","","","0.1112","0.1214","","","","","","1.064","","","","has coordinates,has Fobs","169873","2020-10-21","18:00:00",""
"2020284","19.3847","0.001","9.0716","0.0004","30.3953","0.0012","90","","90","","90","","5345","0.4","170","2","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C224 H320 O48 -","16","2","FN3208","Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.","Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019919","","","0.71073","MoKα","","0.129","0.0665","","","0.1475","0.1892","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","169874","2020-10-21","18:00:00",""
"2020286","3.8229","0.0015","8.972","0.003","11.645","0.004","75.011","0.006","89.036","0.006","81.735","0.006","381.7","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","β-Resorcylic acid monohydrate","2,4-Dihydroxybenzoic acid monohydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C14 H16 O10 -","2","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.0542","0.048","","","0.1272","0.1325","","","","","","1.103","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020287","26.534","0.002","6.5377","0.0006","7.6136","0.0007","90","","90","","90","","1320.7","0.2","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thymine‒β-resorcylic acid‒water (1/1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒2,4-dihydroxybenzoic acid‒water (1/1/1)","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.034","0.0328","","","0.0864","0.0873","","","","","","1.038","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020288","7.2045","0.001","15.049","0.002","12.1405","0.0016","90","","91.65","0.002","90","","1315.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C60 H68 N8 Ni2 -","2","0.5","DT3036","Su, Bi-Yun; Li, Xiao-Teng; Wang, Jia-Xiang; Wang, Xu-Dong","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>')nickel(II): a supramolecular structure formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020781","","","0.71073","MoKα","","0.0552","0.037","","","0.0958","0.1046","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020289","9.5706","0.0005","10.2415","0.0005","11.6998","0.0005","94.507","0.004","110.27","0.004","111.616","0.005","971.75","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[Benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","","- C16 H24 O8 P2 -","- C16 H24 O8 P2 -","- C32 H48 O16 P4 -","2","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0378","0.0323","","","0.0847","0.0896","","","","","","1.054","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020290","9.8434","0.0002","11.3589","0.0003","26.6986","0.0008","90","","90","","90","","2985.18","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C10 H20 O7 P2 -","- C10 H20 O7 P2 -","- C80 H160 O56 P16 -","8","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0527","0.0464","","","0.0918","0.0944","","","","","","1.136","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020291","15.464","0.002","8.663","0.001","9.912","0.002","90","","112.832","0.002","90","","1223.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C13 H12 Ag N3 -","- C13 H12 Ag N3 -","- C52 H48 Ag4 N12 -","4","0.5","FM3029","Piromchom, Jureepan; Othong, Jintana; Boonmak, Jaursup; Mutikainen, Ilpo; Youngme, Sujittra","A novel one-dimensional metal‒organic framework with a μ-cyanido-argentate group: <i>catena</i>-poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","Acta Crystallographica Section C","2015","71","12","1","0","10.1107/S2053229615020288","","","0.71073","MoKα","","0.0318","0.0285","","","0.0688","0.0708","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","170208","2020-10-21","18:00:00",""
"2020292","18.0782","0.0007","5.8922","0.0003","15.8365","0.0003","90","","93.7245","0.0007","90","","1683.35","0.11","296","","296","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-chlorido-[bis(ethylenediamine)platinum(IV)]-μ-chlorido] tetrakis{4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate} dihydrate]","","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","1","0.25","UK3120","Matsushita, Nobuyuki; Taira, Ayako","A one-dimensional chloride-bridged PtII/PtIVmixed-valence complex with a 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate counter-ion","Acta Crystallographica Section C Structural Chemistry","2015","71","12","","","10.1107/S2053229615019877","","","0.7107","MoKα","","0.0512","0.0303","","","0.0552","0.0615","","","","","","1.042","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020293","11.8634","0.0007","12.6803","0.0006","17.1975","0.0009","90","","90","","90","","2587","0.2","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate","","- C19 H28 B2 F8 Fe N10 O -","- C19 H28 B2 F8 Fe N10 O -","- C76 H112 B8 F32 Fe4 N40 O4 -","4","1","EG3192","Struch, Niklas; Schnakenburg, Gregor; Lützen, Arne","A novel crystal structure of {tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020409","","","0.71073","MoKα","","0.0483","0.0373","","","0.0824","0.0864","","","","","","1.05","","","","has coordinates,has disorder","170210","2020-10-21","18:00:00",""
"2020294","8.657","0.0005","8.8622","0.0017","9.0321","0.0011","92.649","0.013","113.635","0.009","100.632","0.012","618.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(6<i>RS</i>)-4-Chloro-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 -","- C14 H14 Cl N3 -","- C28 H28 Cl2 N6 -","2","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0858","0.0528","","","0.1163","0.1362","","","","","","1.082","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020295","8.0251","0.0007","21.551","0.0017","8.0709","0.0006","90","","116.216","0.006","90","","1252.27","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-hydroxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0729","0.0461","","","0.0937","0.104","","","","","","1.136","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020296","8.2148","0.0007","12.9078","0.0008","15.0778","0.0006","90","","122.774","0.005","90","","1344.27","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C15 H16 Cl N3 O -","- C15 H16 Cl N3 O -","- C60 H64 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1017","0.0516","","","0.0921","0.1089","","","","","","1.043","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020297","13.9431","0.0008","9.2078","0.001","14.802","0.004","90","","106.521","0.008","90","","1821.9","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-2-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N3 O -","- C21 H20 Cl N3 O -","- C84 H80 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1115","0.057","","","0.0991","0.1197","","","","","","1.079","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020298","7.2367","0.0006","8.4193","0.0006","11.7507","0.0008","73.617","0.005","85.522","0.006","69.492","0.005","643.17","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","9α,21-Dichloro-11β,17α-dihydroxy-16α-methyl-3,20-dioxodipregna-1,4-dien-17-yl furan-2-carboxylate monohydrate","","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","1","1","OV3071","Müller, Peter","Mometasone furoate revisited, or how did the hydrate get in the bottle?","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021476","","","1.54178","CuKα","","0.0473","0.0412","","","0.0979","0.1002","","","","","","1.032","","","","has coordinates,has Fobs","170373","2020-10-21","18:00:00",""
"2020299","3.7097","0.0003","9.5406","0.001","22.841","0.002","90","","90","","90","","808.41","0.13","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TGN-020","2-Nicotinamido-1,3,4,-thiadiazole","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","1","YP3101","Burnett, Marianne E.; Johnston, Hannah M.; Green, Kayla N.","Structural characterization of the aquaporin inhibitor 2-nicotinamido-1,3,4-thiadiazole","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021130","","","0.71073","MoKα","","0.0655","0.0441","","","0.075","0.0799","","","","","","1.052","","","","has coordinates,has Fobs","170374","2020-10-21","18:00:00",""
"2020300","12.6613","0.0009","8.0054","0.0006","12.8345","0.0009","90","","117.89","0.0009","90","","1149.79","0.14","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-11-oxo-9,10,17λ^5^-triaza-1λ^4^-boratetracyclo[8.7.0.0^2,7^.0^12,17^]heptadeca-3,5,7,12,14,16-hexaen-17-ylium-1-uide","","- C13 H10 B N3 O2 -","- C13 H10 B N3 O2 -","- C52 H40 B4 N12 O8 -","4","1","YP3108","Sarina, Evan A.; Olmstead, Marilyn M.; Kanichar, Divya; Groziak, Michael P.","A zwitterion produced by a strong intramolecular N→B interaction in 1-hydroxy-2-(pyridin-2-ylcarbonyl)benzo[<i>d</i>][1,2,3]diazaborinine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021841","","","0.71073","MoKα","","0.0382","0.036","","","0.1014","0.1034","","","","","","1.043","","","","has coordinates,has Fobs","170561","2020-10-21","18:00:00",""
"2020301","10.169","0.003","7.858","0.002","13.818","0.004","90","","105.757","0.004","90","","1062.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[dibromidozinc(II)]-μ-[3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione-κ^2^<i>N</i>:<i>N</i>']]","","- C24 H14 Br2 N2 O2 Zn -","- C24 H14 Br2 N2 O2 Zn -","- C48 H28 Br4 N4 O4 Zn2 -","2","0.5","UK3122","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.0495","0.0325","","","0.0528","0.0554","","","","","","0.851","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020302","23.138","0.009","10.921","0.004","16.49","0.007","90","","108.931","0.007","90","","3941","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bromido[μ~3~-10-hydroxy-3,6-bis(pyridin-4-yl)phenanthren-9-olato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>^9^]zinc(II)] hemihydrate]","","- C24 H16 Br N2 O2.5 Zn -","- C24 H16 Br N2 O2.5 Zn -","- C192 H128 Br8 N16 O20 Zn8 -","8","2","","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.1413","0.0508","","","0.0594","0.0713","","","","","","0.824","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020303","7.9382","0.0016","7.3484","0.0015","25.847","0.005","90","","90.05","0.03","90","","1507.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'<i>E</i>,2'<i>E</i>)-2,2'-(Propane-1,2-diylidene)bis[1-(2-nitrophenyl)hydrazine]","","- C15 H14 N6 O4 -","- C15 H14 N6 O4 -","- C60 H56 N24 O16 -","4","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.0609","0.0377","","","0.0865","0.0917","","","","","","0.866","","","","has coordinates,has Fobs","170589","2020-10-21","18:00:00",""
"2020304","27.312","0.006","7.5929","0.0016","20.625","0.004","90","","106.241","0.007","90","","4106.5","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>Z</i>,3<i>Z</i>)-Ethyl 3-[2-(2-nitrophenyl)hydrazinylidene]-2-[2-(4-nitrophenyl)hydrazinylidene]butanoate tetrahydrofuran hemisolvate","","- C20 H22 N6 O6.5 -","- C20 H22 N6 O6.5 -","- C160 H176 N48 O52 -","8","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.1055","0.062","","","0.1494","0.168","","","","","","1.335","","","","has coordinates,has disorder,has Fobs","170589","2020-10-21","18:00:00",""
"2020305","9.35","0.0019","15.95","0.003","26.07","0.005","90","","90","","90","","3887.9","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Glycyl-α-aminoisobutyryl-glycyl-α-aminoisobutyric acid <i>tert</i>-butyl ester","","- C16 H30 N4 O5 -","- C16 H30 N4 O5 -","- C128 H240 N32 O40 -","8","1","LG3179","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The first N-terminal unprotected (Gly-Aib)~<i>n~</i> peptide: H-Gly-Aib-Gly-Aib-O<i>t</i>Bu","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022597","","","0.65253","synchrotron","","0.0613","0.059","","","0.1486","0.1505","","","","","","1.111","","","","has coordinates,has Fobs","170590","2020-10-21","18:00:00",""
"2020306","9.2871","0.0003","19.633","0.0007","7.3663","0.0003","90","","108.604","0.002","90","","1272.94","0.08","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ferrocenylmethyl methacrylate","","- C15 H16 Fe O2 -","- C15 H16 Fe O2 -","- C60 H64 Fe4 O8 -","4","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0365","0.0286","","","0.0679","0.0711","","","","","","1.047","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020307","8.7326","0.0003","10.3037","0.0003","11.0775","0.0004","64.245","0.002","77.333","0.002","77.167","0.002","866.7","0.05","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(methylene) dimethacrylate","","- C20 H22 Fe O4 -","- C20 H22 Fe O4 -","- C40 H44 Fe2 O8 -","2","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0403","0.0336","","","0.0842","0.0882","","","","","","1.05","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020858","6.9132","0.0008","8.9917","0.001","36.898","0.004","90","","90","","90","","2293.6","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thymine‒catechol (1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2-diol (1/1)","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0613","0.0511","","","0.1283","0.1342","","","","","","1.17","","","","has coordinates,has Fobs","199944","2020-10-21","18:00:00",""
"2020859","6.9499","0.0007","9.0237","0.001","26.828","0.003","90","","90","","90","","1682.5","0.3","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Thymine‒catechol (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,3-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.059","0.0518","","","0.1302","0.1347","","","","","","1.103","","","","has coordinates,has Fobs","199945","2020-10-21","18:00:00",""
"2020860","14.204","0.003","6.9634","0.0013","8.4505","0.0015","90","","97.639","0.003","90","","828.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thymine‒hydroquinone (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,4-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0452","0.0423","","","0.1201","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","199946","2020-10-21","18:00:00",""
"2020861","6.9652","0.0013","10.2125","0.0019","12.951","0.002","97.218","0.003","99.189","0.003","108.549","0.003","846.7","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Thymine‒pyrogallol (1/2)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2,3-triol (1/2)","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0488","0.0427","","","0.1239","0.1311","","","","","","1.046","","","","has coordinates,has Fobs","199947","2020-10-21","18:00:00",""
"2311841","8.847","0.003","17.679","0.006","9.564","0.003","90","","100.38","0.02","90","","1471.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bromoacetate","","- C14 H26 Br N O2 -","- C14 H26 Br N O2 -","- C56 H104 Br4 N4 O8 -","4","1","","Rojek, Tomasz; Lis, Tadeusz; Matczak-Jon, Ewa","Dicyclohexylammonium bromoacetate: a low molecular mass organogelator with a one-dimensional secondary ammonium monocarboxylate (SAM) synthon.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 7","593","597","10.1107/S2053229615011018","","","0.71073","MoKα","","0.0392","0.0325","","","0.0917","0.0939","","","","","","1.058","","","","has coordinates","246132","2020-10-21","18:00:00",""
"2311842","8.9698","0.0004","12.4288","0.0005","20.3978","0.0008","90","","90.7276","0.0017","90","","2273.84","0.16","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[μ-1,3-bis(3-<i>tert</i>-butylimidazolin-2-yliden-1-yl)pyridine]-1κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^;2κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^-dicopper(I) bis(hexafluoridophosphate)","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","FP3013","Riener, Korbinian; Pöthig, Alexander; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","Structure and spectroscopic properties of the dimeric copper(I) N-heterocyclic carbene complex [Cu₂(CNC(t-Bu))₂](PF₆)₂.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 8","643","646","10.1107/S2053229615012140","","","0.71073","MoKα","","0.0202","0.0192","","","0.0487","0.0491","","","","","","1.027","","","","has coordinates","246133","2020-10-21","18:00:00",""
"2311843","15.0721","0.0004","11.3109","0.0003","19.4443","0.0004","90","","90","","90","","3314.85","0.14","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4-(Diethylamino)benzyl]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0788","0.0483","","","0.1202","0.1348","","","","","","1.047","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311844","9.8128","0.0002","10.0235","0.0002","30.4669","0.0006","90","","90","","90","","2996.68","0.1","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-5-(2,4,6-trimethoxybenzyl)-1,3-dioxane-4,6-dione","","- C16 H20 O7 -","- C16 H20 O7 -","- C128 H160 O56 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0689","0.0421","","","0.0942","0.1052","","","","","","0.997","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311845","22.9942","0.0005","10.184","0.0002","26.9904","0.0007","90","","112.125","0.001","90","","5855","0.2","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-(4-Hydroxy-3,5-dimethoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C15 H18 O7 -","- C15 H18 O7 -","- C240 H288 O112 -","16","2","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.1458","0.0555","","","0.1021","0.1275","","","","","","0.958","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311846","19.154","0.0013","7.939","0.0004","13.936","0.001","90","","93.613","0.006","90","","2114.9","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato-κ<i>O</i>)zinc(II)]-μ-isonicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C20 H12 Cl4 N2 O5 Zn -","- C20 H12 Cl4 N2 O5 Zn -","- C80 H48 Cl16 N8 O20 Zn4 -","4","1","CU3087","Homzová, Katarína; Györyová, Katarína; Koman, Marián; Melník, Milan; Juhászová, Žofia","Synthesis, crystal structure, and spectroscopic and thermal properties of the polymeric compound catena-poly[[bis(2,4-dichlorobenzoato)zinc(II)]-μ-isonicotinamide].","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","814","819","10.1107/S2053229615014862","","","0.71073","MoKα","","0.0396","0.0264","","","0.0586","0.0669","","","","","","0.957","","","","has coordinates","246135","2020-10-21","18:00:00",""
"2311847","16.2034","0.0014","16.2034","","28.698","0.002","90","","90","","90","","7534.7","0.8","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","Ni_TFDIB","<i>trans</i>-Tetrakis(4-vinylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)‒2,3,5,6-tetrafluoro-1,4-diiodobenzene (1/1)","","- C36 H28 F4 I2 N6 Ni S2 -","- C36 H28 F4 I2 N6 Ni S2 -","- C288 H224 F32 I16 N48 Ni8 S16 -","8","0.5","YP3107","Şerb, Mihaela-Diana; Merkens, Carina; Kalf, Irmgard; Englert, Ulli","Halogen bonds on demand: I···S contacts in cocrystals of trans-bis(thiocyanato-κN)tetrakis(4-vinylpyridine-κN)nickel(II) and 2,3,5,6-tetrafluoro-1,4-diiodobenzene.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 11","991","995","10.1107/S2053229615019002","","","0.71073","MoKα","","0.0549","0.0359","","","0.0691","0.0772","","","","","","1.03","","","","has coordinates","246136","2020-10-21","18:00:00",""
"2311848","16.7143","0.0004","16.7143","0.0004","9.4518","0.0005","90","","90","","90","","2640.53","0.17","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C11 H7 N5 O4 S Zn -","- C11 H7 N5 O4 S Zn -","- C88 H56 N40 O32 S8 Zn8 -","8","1","YF3096","Liu, Yang; Feng, Yong Lan; Fu, Wei Wei","A new two-dimensional extended adenine and thiophenecarboxylate mixed-ligand zinc(II) complex: synthesis, structure, thermostability and luminescent properties.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1069","1073","10.1107/S2053229615021221","","","0.71073","MoKα","","0.0704","0.0639","","","0.1792","0.1864","","","","","","1.138","","","","has coordinates","246137","2020-10-21","18:00:00",""
"2311849","10.1146","0.0004","12.1591","0.0005","17.7002","0.0007","97.219","0.002","97.02","0.002","102.06","0.002","2087.05","0.15","123","","123","","","","","","","","","6","P -1","-P 1","2","","[1,1'-Bis(pyridin-2-yl)-2,2-bi(1<i>H</i>-imidazole)-κ<i>N</i>^3^][3,3'-bis(pyridin-2-yl-κ<i>N</i>)-1,1'-methanediylbi(1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^)](trimethylphosphane-κ<i>P</i>)iron(II) bis(hexafluoridophosphate)","","- C36 H35 F12 Fe N12 P3 -","- C36 H35 F12 Fe N12 P3 -","- C72 H70 F24 Fe2 N24 P6 -","2","1","FP3018","Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1096","1099","10.1107/S2053229615021968","","","0.71073","MoKα","","0.0925","0.0585","","","0.1218","0.1354","","","","","","1.049","","","","has coordinates,has disorder","246138","2020-10-21","18:00:00",""