# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:20:26+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C m c 21' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000352","22.633","0.003","7.804","0.001","7.748","0.001","90","","90","","90","","1368.5","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Tribarium diniobium dioxide dodecafluoride dihydrate","","- Ba3 F12 H4 Nb2 O4 -","- Ba3 F12 H4 Nb2 O4 -","- Ba12 F48 H16 Nb8 O16 -","4","0.5","","Crosnier-Lopez, M P; Fourquet, J L","Ba~3~Nb~2~O~2~F~12~.2H~2~O: Synthesis and crystal structure","Journal of Solid State Chemistry","1993","105","","92","99","10.1006/jssc.1993.1196","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000421","4.1974","0.0006","14.546","0.003","5.8391","0.0008","90","","90","","90","","356.5","","","","295","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000422","4.1843","0.0012","14.496","0.004","5.8253","0.0015","90","","90","","90","","353.3","","","","113","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium tetrafluorozincate","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","","Lapasset, J; Bordallo, H N; Almairac, R; Nouet, J","Crystal structures of barium zincate fluoride, Ba Zn F4 at 295 and 113 K","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","934","935","","","","","","","0.0252","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001129","3.8207","0.0005","15.641","0.005","2.9814","0.0005","90","","90","","90","","178.2","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Potassium magnesium titanium oxide (0.8/0.4/1.6/4)","","- K0.8 Mg0.4 O4 Ti1.6 -","- K0.8 Mg0.4 O4 Ti1.6 -","- K1.6 Mg0.8 O8 Ti3.2 -","2","0.25","","Groult, D; Mercey, C; Raveau, B","Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~","Journal of Solid State Chemistry","1980","32","","289","296","10.1016/S0022-4596(80)80022-3","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001130","3.8064","0.0005","15.692","0.005","2.985","0.0005","90","","90","","90","","178.3","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Potassium zinc titanium oxide (0.8/0.4/1.6/4)","","- K0.8 O4 Ti1.6 Zn0.4 -","- K0.8 O4 Ti1.6 Zn0.4 -","- K1.6 O8 Ti3.2 Zn0.8 -","2","0.25","","Groult, D; Mercey, C; Raveau, B","Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~","Journal of Solid State Chemistry","1980","32","","289","296","10.1016/S0022-4596(80)80022-3","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001224","9.312","0.001","5.755","0.001","5.105","0.001","90","","90","","90","","273.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Digermanium dinitride oxide","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Jorgensen, J D; Srinivasa, S R; Labbe, J C; Roult, G","Time-of-flight neutron diffraction study of germanium nitride oxide, Ge~2~ N~2~ O","Acta Crystallographica B (24,1968-38,1982)","1979","35","","141","142","10.1107/S0567740879002752","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001306","9.317","0.003","5.752","0.001","5.105","0.001","90","","90","","90","","273.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001307","9.315","0.003","5.747","0.001","5.102","0.001","90","","90","","90","","273.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001308","9.306","0.003","5.742","0.001","5.097","0.001","90","","90","","90","","272.4","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001309","9.298","0.003","5.736","0.001","5.092","0.001","90","","90","","90","","271.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001310","9.287","0.003","5.731","0.002","5.089","0.001","90","","90","","90","","270.9","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001311","9.274","0.003","5.727","0.002","5.085","0.001","90","","90","","90","","270.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001312","9.266","0.003","5.72","0.002","5.08","0.001","90","","90","","90","","269.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001313","9.259","0.004","5.714","0.002","5.075","0.001","90","","90","","90","","268.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001314","9.261","0.004","5.707","0.002","5.074","0.001","90","","90","","90","","268.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001315","9.254","0.004","5.699","0.002","5.073","0.002","90","","90","","90","","267.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001316","9.247","0.004","5.689","0.002","5.072","0.002","90","","90","","90","","266.8","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001780","8.869","0.002","5.493","0.001","4.849","0.001","90","","90","","90","","236.2","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001781","8.884","0.002","5.522","0.001","4.873","0.001","90","","90","","90","","239.1","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Billy, M; Labbe, J C; Selvaraj, A; Roult, G","Modifications structurales de l'oxynitrure de silicium sous contraintes thermiques","Materials Research Bulletin","1980","15","","1207","1213","10.1016/0025-5408(80)90022-7","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001785","8.8709","0.0004","5.4907","0.0002","4.85","0.0002","90","","90","","90","","236.2","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G","L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides","Materials Research Bulletin","1988","23","","1087","1099","10.1016/0025-5408(88)90198-5","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001786","8.8911","0.0002","5.4781","0.0003","4.8302","0.0002","90","","90","","90","","235.3","","","","","","","","","","","","synthetic","3","C m c 21","C 2c -2","36","","Disilicon dinitride oxide - irradiated sample","Sinoite irradiated","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Baraton, M I; Billy, M; Labbe, J C; Quintard, P; Roult, G","L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides","Materials Research Bulletin","1988","23","","1087","1099","10.1016/0025-5408(88)90198-5","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008106","10.198","","8.035","","7.63","","90","","90","","90","","625.2","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Molybdenum manganese silicide carbide (1/4/1/1)","","- C Mn4 Mo Si -","- C Mn4 Mo Si -","- C8 Mn32 Mo8 Si8 -","8","1","","Spinat, P; Fruchart, R; Kabbani, M; Herpin, P","Structure de Mn~5~ Si C","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","171","184","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008107","10.198","","8.035","","7.63","","90","","90","","90","","625.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Manganese silicide carbide (5/1/1)","","- C Mn5 Si -","- C Mn5 Si -","- C8 Mn40 Si8 -","8","1","","Spinat, P; Fruchart, R; Kabbani, M; Herpin, P","Structure de Mn~5~ Si C","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","171","184","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008209","11.5","0.005","13.877","0.005","7.236","0.005","90","","90","","90","","1154.8","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Potassium trifluorobis(nitrato)antimonate(III) nitrate","","- F3 K3 N3 O9 Sb -","- F3 K3 N3 O9 Sb -","- F12 K12 N12 O36 Sb4 -","4","0.5","","Bourgault, M; Ducourant, B; Fourcade, R","Sur un nouveau compose doubleur de frequence, synthese, et structure du nitrate-bis-nitratotrifluoroantimonate de potassium K~2~ Sb F~3~ (N O~3~)~2~ * K N O~3~","Journal of Solid State Chemistry","1983","50","","79","85","10.1016/0022-4596(83)90234-7","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008375","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010470","4.624","0.001","6.789","0.001","12.445","0.001","90","","90","","90","","390.7","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Mercury bromide","","- Br2 Hg -","- Br2 Hg -","- Br8 Hg4 -","4","0.5","","Braekken, H","Zur Kristallstruktur des Quecksilberbromids Hg Br~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","","152","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010615","4.67","","6.85","","12.45","","90","","90","","90","","398.3","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Mercury bromide","","- Br2 Hg -","- Br2 Hg -","- Br8 Hg4 -","4","0.5","","Verweel, H J; Bijvoet, J M","Die Kristallstruktur des Quecksilberbromides","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","77","","122","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010765","7.7","0.05","12.32","0.05","8.48","0.05","90","","90","","90","","804.4","","","","","","","","","","","","from Ste.Coix aux Mines, Alsace","3","C m c 21","C 2c -2","36","","Pentasilver antimony sulfide","Stephanite","- Ag5 S4 Sb -","","","4","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1100020","5","","5.72","","11.12","","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J D; Moser, W; Simpson, W B","The structure of the red modification of tin(II)oxide","Acta Crystallographica (1,1948-23,1967)","1963","16","","A22","A22","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100257","28.8161","0.0018","29.9021","0.0017","18.837","0.002","90","","90","","90","","16231.1","","","","193","","","","","","","","","6","C m c 21","C 2c -2","36","","tetrakis(μ~3~-Tricyclohexylphosphoraneiminato)-tetrakis(tricyclohexylphosphin e oxide)-tetra-cesium","","- C144 H264 Cs4 N4 O4 P8 -","- C282 Cs6 N6 O6 P12 -","- C1128 Cs24 N24 O24 P48 -","4","0.5","","Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt","Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","2","473","479","10.1002/1521-3749(200202)628:2<473::AID-ZAAC473>3.0.CO;2-Z","","","","","","","5.86","","","5.86","","","","","","","","","","","has coordinates","176949","2020-10-21","18:00:00",""
"1101035","5","0.01","5.72","0.01","11.12","0.02","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J. D.; Moser, W.; Simpson, W. B.","178. Red tin(II) oxide","Journal of the Chemical Society","1961","","","839","841","10.1039/jr9610000839","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1101192","30.947","0.002","10.6168","0.0008","18.604","0.0014","90","","90","","90","","6112.5","0.8","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H32.75 N2 O18.75 P4 V4 -","- C12 H32 N2 O18.75 P4 V4 -","- C96 H256 N16 O150 P32 V32 -","8","1","","Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon","Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels","Inorganic Chemistry","2006","45","8","3224","3239","10.1021/ic0517422","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","175229","2020-10-21","18:00:00",""
"1503107","37.353","0.006","15.704","0.002","7.5165","0.0011","90","","90","","90","","4409.1","1.1","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H36 F2 N2 O5 -","- C56 H32 F2 N2 O5 -","- C224 H128 F8 N8 O20 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54248","CuKα","","0.1199","0.0716","","","0.167","0.1948","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503165","17.106","0.004","16.317","0.004","11.461","0.004","90","","90","","90","","3199","1.6","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H48 N6 O4 S -","- C32 H48 N6 O4 S -","- C128 H192 N24 O16 S4 -","4","0.5","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1874","0.0724","","","0.1006","0.1287","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504384","6.0717","0.0012","5.2319","0.001","7.7779","0.0016","90","","90","","90","","247.08","0.08","296","2","296","2","630000","","","","","","","3","C m c 21","C 2c -2","36","acetonitrile","acetonitrile","","- C2 H3 N -","- C2 H3 N -","- C8 H12 N4 -","4","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta.","The journal of physical chemistry. B","2008","112","24","7183","7190","10.1021/jp800753n","","","0.71073","MoKα","","0.0598","0.0568","","","0.1369","0.1427","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504385","5.833","0.007","5.082","0.002","7.563","0.005","90","","90","","90","","224.2","0.3","296","2","296","2","1500000","","","","","","","3","C m c 21","C 2c -2","36","acetonitrile","acetonitrile","","- C2 H3 N -","- C2 H3 N -","- C8 H12 N4 -","4","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta.","The journal of physical chemistry. B","2008","112","24","7183","7190","10.1021/jp800753n","","","0.71073","MoKα","","0.0369","0.0353","","","0.0757","0.0777","","","","","","1.22","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504801","16.9545","0.0011","23.2586","0.0015","6.5773","0.0004","90","","90","","90","","2593.7","0.3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C28 H22 Ag Cl3 N2 -","- C28 H22 Ag Cl3 N2 -","- C112 H88 Ag4 Cl12 N8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0281","0.0263","","","0.0623","0.063","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504802","17.5486","0.0014","23.6751","0.0019","6.7198","0.0005","90","","90","","90","","2791.8","0.4","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C32 H28 Ag Cl F2 N2 -","- C27 H18 Ag Cl F2 N2 -","- C108 H72 Ag4 Cl4 F8 N8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0309","0.0265","","","0.0645","0.0655","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504805","18.7911","0.0014","23.0534","0.0016","6.5177","0.0005","90","","90","","90","","2823.5","0.4","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H26 Ag Cl3 N2 O2 -","- C30 H26 Ag Cl3 N2 O2 -","- C120 H104 Ag4 Cl12 N8 O8 -","4","0.5","","Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.","Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.","Organic letters","2008","10","17","3677","3680","10.1021/ol8012765","","","0.71073","MoKα","","0.0358","0.0308","","","0.0731","0.0748","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509527","3.3755","","14.0608","","7.7486","","90","","90","","90","","367.766","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ag Ta S3","","- Ag S3 Ta -","- Ag S3 Ta -","- Ag4 S12 Ta4 -","4","0.5","","Onoda, M.; Wada, H.; Nozaki, H.","Structure and properties of a new compound Ag Ta S3","Journal of Solid State Chemistry","1992","97","","29","35","10.1016/0022-4596(92)90005-G","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509771","4.2643","","7.3175","","6.9848","","90","","90","","90","","217.954","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Ag2 Cd Sn Se4","","- Ag2 Cd Se4 Sn -","- Ag2 Cd Se4 Sn -","- Ag2 Cd Se4 Sn -","1","0.125","","Gulay, L.D.; Piskach, L.V.; Olekseyuk, I.D.; Parasyuk, O.V.","The (Ag2 Se) - (Cd Se) - (Sn Se2) system at 670 K and the crystal structure of the Ag2 Cd Sn Se4 compound","Journal of Alloys Compd.","2002","335","","176","180","10.1016/S0925-8388(01)01845-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509814","13.8435","","7.46972","","7.10288","","90","","90","","90","","734.488","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Ag2 Hg S I2","","- Ag2 Hg I2 S -","- Ag2 Hg I2 S -","- Ag8 Hg4 I8 S4 -","4","0.5","","Keller, H.L.; Wimbert, L.","Ueber Muenzmetall-Quecksilber-Chalkogenidhalogenide.III. Zur Kristallstruktur von Ag2 Hg S I2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","2337","2340","10.1002/zaac.200300238","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510410","3.199","","18.023","","6.999","","90","","90","","90","","403.531","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Au2 Ga -","- Au2 Ga -","- Au16 Ga8 -","8","1","","Puselj, M.; Schubert, K.","Kristallstruktur von Au2 Ga","Journal of the Less-Common Metals","1974","38","","83","90","10.1016/0022-5088(74)90206-9","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510859","4.0128","","28.8674","","3.8413","","90","","90","","90","","444.973","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Er8 (B2.84 Si5.16) Si12","","- B2.84 Er8 Si17.16 -","- B2.84 Er8 Si17.16 -","- B2.84 Er8 Si17.16 -","1","0.125","","Babizhet'sky, V.S.; Jardin, R.; Bauer, J.; Guerin, R.","Crystal structure of the rare earth borosilicide Er8 Si17 B3","Journal of Alloys Compd.","2003","353","","233","239","10.1016/S0925-8388(02)01318-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511371","2.771","","7.578","","7.314","","90","","90","","90","","153.584","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Ir B0.9","","- B0.9 Ir -","- B0.9 Ir -","- B7.2 Ir8 -","8","1","","Nowotny, H.; Rogl, P.; Benesovsky, F.","Ein Beitrag zur Strukturchemie der Iridiumboride","Monatshefte fuer Chemie (-108,1977)","1971","102","","678","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511575","9.586","","7.409","","11.071","","90","","90","","90","","786.292","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ce Ni12 B6","","- B6 Ce Ni12 -","- B6 Ce Ni12 -","- B24 Ce4 Ni48 -","4","0.5","","Kuz'ma, Yu.B.; Bruskov, V.O.; Aksel'rud, L.G.","The crystal structure of the boride Ce Ni12 B6","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1985","1985","","33","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511616","9.598","","7.414","","11.075","","90","","90","","90","","788.092","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La Ni12 B6","","- B6 La Ni12 -","- B6 La Ni12 -","- B24 La4 Ni48 -","4","0.5","","Zavalii, L.V.; Kuz'ma, Yu.B.","Crystal structure of boride LaNi12B6","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1990","26","","2220","2222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511627","9.536","","7.382","","10.991","","90","","90","","90","","773.709","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ni12 Tb B6","","- B6 Ni12 Tb -","- B6 Ni12 Tb -","- B24 Ni48 Tb4 -","4","0.5","","Kuz'ma, Yu.B.; Dub, O.M.","Ternary borides of the Ce Ni12 B6-type structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1987","23","","42","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512557","5.5494","0.0015","14.35","0.006","7.481","0.002","90","","90","","90","","595.7","0.3","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Al2.5 B0.5 O4.5 -","- Al2.5 B0.5 O4.5 -","- Al20 B4 O36 -","8","1","FV5010","Rothkirch, André; Gatta, G. Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns-Peter","Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data","Journal of Synchrotron Radiation","2013","20","5","711","720","10.1107/S0909049513018621","","","0.28988","X-ray","","0.0891","0.0581","","","0.0633","0.0806","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515793","13.824","","17.42","","5.052","","90","","90","","90","","1216.59","","150","2","150","2","","","","","","","","2","C m c 21","C 2c -2","36","(bmIm)-Theta-1","[bmIm]-Theta-1","","- O16 Si8 -","- O16 Si8 -","- O48 Si24 -","3","0.375","","Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.","Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites","Chemical Science","2010","1","4","483","","10.1039/c0sc00178c","","","0.7749","synchrotron","","0.1272","0.104","","","0.2693","0.2851","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519303","15.094","0.002","9.007","0.0012","10.3253","0.0016","90","","90","","90","","1403.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H11 Cl0.5 N1.5 -","- C6 H11.5 Cl0.5 N1.5 -","- C48 H92 Cl4 N12 -","8","1","","Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.","Pyrrole hemikis(tetramethylammonium chloride)","Crystal Structure Report Archive","2001","","","122","","","","","0.71073","MoKα","","0.09","0.0617","","","0.1393","0.1558","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519480","20.1599","0.001","11.7656","0.0006","8.7964","0.0005","90","","90","","90","","2086.45","0.19","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H16 Cl F8 N4 O4 P3 -","- C12 H16 Cl F8 N4 O4 P3 -","- C48 H64 Cl4 F32 N16 O16 P12 -","4","0.5","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C12H16ClF8N4O4P3","Crystal Structure Report Archive","2002","","","873","","","","","0.71073","MoKα","","0.0568","0.0413","","","0.0967","0.1053","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519841","10.666","0.002","13.489","0.003","8.8593","0.0018","90","","90","","90","","1274.6","0.5","294","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","0.5","","Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","301","","","","","0.71073","MoKα","","0.0479","0.0366","","","0.0877","0.0933","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520053","4.6212","0.0013","27.484","0.008","26.923","0.007","90","","90","","90","","3419.5","1.6","296","2","296","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Rong, Yaoguang; Tang, Zhongjia; Zhao, Yufeng; Zhong, Xin; Venkatesan, Swaminathan; Graham, Harrison; Patton, Matthew; Jing, Yan; Guloy, Arnold M.; Yao, Yan","Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells.","Nanoscale","2015","7","24","10595","10599","10.1039/c5nr02866c","","","0.71073","MoKα","","0.1237","0.0538","","","0.1053","0.1217","","","","","","0.836","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521954","5.114","","8.857","","8.63","","90","","90","","90","","390.893","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","K Li (S O4)","","- K Li O4 S -","- K Li O4 S -","- K4 Li4 O16 S4 -","4","0.5","","Solans, X.; Calvet, M.T.; Bocanegra, E.H.; Mestres, L.; Bakkali, A.; Martinez-Sarrion, M.L.; Mata, J.; Herraiz, M.","Thermal analysis and X-ray diffraction study on Li K S O4: a new phase transition","Journal of Solid State Chemistry","1999","148","","316","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522512","4.387","","26.212","","7.155","","90","","90","","90","","822.768","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Rh3 Sn5 Y2 -","- Rh3 Sn5 Y2 -","- Rh12 Sn20 Y8 -","4","0.5","","Meot-Meyer, M.; Venturini, G.; Steinmetz, J.; Roques, B.; Malaman, B.","Des nouveaux stannures ternaires de rhodium et d'elements des terres rares: TR2 Rh3 Sn6 ou TR= Y, Gd, Tb, Dy, Ho. Structures cristallines et magnetiques des Y2 Rh3 Sn5","Materials Research Bulletin","1984","19","","1181","1186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526252","5.825","","12.433","","8.157","","90","","90","","90","","590.748","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs2 (Co Si O4)","","- Co Cs2 O4 Si -","- Co Cs2 O4 Si -","- Co4 Cs8 O16 Si4 -","4","0.5","","Hansing, J.; Moeller, A.","Synthesis, crystal structures and properties of edge-sharing tetrahedra centered with silicon and cobalt: Cs2 Co Si O4 and Cs5 Co Si O6","Journal of Solid State Chemistry","2001","162","","204","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526265","15.667","","5.493","","5.376","","90","","90","","90","","462.652","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Bi2 (Ge O5)","","- Bi2 Ge O5 -","- Bi2 Ge O5 -","- Bi8 Ge4 O20 -","4","0.5","","Pirovano, C.; Islam, M.S.; Nowogrocki, G.; Mairesse, G.; Vannier, R.S.","Modelling the crystal structures of Aurivillius phases","Solid State Ionics","2001","140","","115","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526311","8.88479","","11.97231","","5.54532","","90","","90","","90","","589.864","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Bi Ca2 (As O4) O2","","- As Bi Ca2 O6 -","- As Bi Ca2 O6 -","- As4 Bi4 Ca8 O24 -","4","0.5","","Radosavljevic, I.; Howard, J.A.K.; Sleight, A.W.","Synthesis and structure of two new bismuth cadmium vanadates, Bi CdV O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 PO6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526378","4.073","","14.212","","14.568","","90","","90","","90","","843.276","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs Bi2 Cu S4","","- Bi2 Cs Cu S4 -","- Bi2 Cs Cu S4 -","- Bi8 Cs4 Cu4 S16 -","4","0.5","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527007","4.0273","","13.77","","14.259","","90","","90","","90","","790.746","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","K Bi2 Cu S4","","- Bi2 Cu K S4 -","- Bi2 Cu K S4 -","- Bi8 Cu4 K4 S16 -","4","0.5","","Yang, Y.-T.; Brazis, P.; Ibers, J.A.; Kannewurf, C.R.","Structures and conductivities of the quaternary A/Bi/Cu/S phases K Bi2 Cu S4 and A3 Bi5 Cu2 S10 (A = Rb, Cs)","Journal of Solid State Chemistry","2000","155","","243","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527144","3.997","","16.485","","11.394","","90","","90","","90","","750.757","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La2 Fe2 S5","","- Fe2 La2 S5 -","- Fe2 La2 S5 -","- Fe8 La8 S20 -","4","0.5","","Besrest, F.; Collin, G.","Structure de La2 Fe2 S5 et de La2 Fe1.87 S5","Journal of Solid State Chemistry","1977","21","","161","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","148509","2020-10-21","18:00:00",""
"1527145","3.9996","","49.508","","11.308","","90","","90","","90","","2239.12","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La2 Fe1.87 S5","","- Fe1.87 La2 S5 -","- Fe1.87333 La2 S5 -","- Fe22.48 La24 S60 -","12","1.5","","Besrest, F.; Collin, G.","Structure de La2 Fe2 S5 et de La2 Fe1.87 S5","Journal of Solid State Chemistry","1977","21","","161","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","148510","2020-10-21","18:00:00",""
"1527162","7.309","","9.914","","7.473","","90","","90","","90","","541.504","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- K2 S3 -","- K2 S3 -","- K8 S12 -","4","0.5","","Boettcher, P.","Die Kristallstruktur von K2 S3 und K2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","432","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527163","7.692","","10.408","","7.717","","90","","90","","90","","617.81","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- K2 Se3 -","- K2 Se3 -","- K8 Se12 -","4","0.5","","Boettcher, P.","Die Kristallstruktur von K2 S3 und K2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","432","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527164","7.513","","10.375","","7.769","","90","","90","","90","","605.573","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Rb2 S3 -","- Rb2 S3 -","- Rb8 S12 -","4","0.5","","Boettcher, P.","Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527165","7.856","","10.858","","7.977","","90","","90","","90","","680.442","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Rb2 Se3 -","- Rb2 Se3 -","- Rb8 Se12 -","4","0.5","","Boettcher, P.","Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527166","7.712","","10.939","","8.111","","90","","90","","90","","684.257","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Cs2 S3 -","- Cs2 S3 -","- Cs8 S12 -","4","0.5","","Boettcher, P.","Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527167","8.015","","11.406","","8.282","","90","","90","","90","","757.133","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Cs2 Se3 -","- Cs2 Se3 -","- Cs8 Se12 -","4","0.5","","Boettcher, P.","Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","461","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527193","11.47","","7.722","","6.427","","90","","90","","90","","569.248","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Cs2 Pr O3","","- Cs2 O3 Pr -","- Cs2 O3 Pr -","- Cs8 O12 Pr4 -","4","0.5","","Brunn, H.; Hoppe, R.","Die Kristallstruktur von Cs2 Pr O3, sowie ueber Cs2 Ce O3, Cs2 Tb O3, Rb2 Ce O3 und Rb2 Tb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","433","","189","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527194","10.91","","7.39","","6.099","","90","","90","","90","","491.731","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Rb2 (Tb O3)","","- O3 Rb2 Tb -","- O3 Rb2 Tb -","- O12 Rb8 Tb4 -","4","0.5","","Brunn, H.; Hoppe, R.","Die Kristallstruktur von Cs2 Pr O3, sowie ueber Cs2 Ce O3, Cs2 Tb O3, Rb2 Ce O3 und Rb2 Tb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","433","","189","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527237","3.08","","12.5","","3.87","","90","","90","","90","","148.995","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Fe O (O H)","","- Fe H O2 -","- Fe H O2 -","- Fe4 H4 O8 -","4","0.5","","Christensen, H.; Norlund Christensen, A.","Hydrogen bonds of gamma - Fe O O H","Acta Chemica Scandinavica, Series A: (28,1974-)","1978","32","","87","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527545","10.838","","7.494","","6.011","","90","","90","","90","","488.213","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Rb2 Pb O3","","- O3 Pb Rb2 -","- O3 Pb Rb2 -","- O12 Pb4 Rb8 -","4","0.5","","Hoppe, R.; Stoever, H.D.","Zur Kristallstruktur von Rb2 Pb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","437","","123","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527590","4.572","","21.025","","8.125","","90","","90","","90","","781.026","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K N H3 Cl3 Pt H2 O","","- Cl3 H5 K N O Pt -","- Cl3 H5 K N O Pt -","- Cl12 H20 K4 N4 O4 Pt4 -","4","0.5","","Jeannin, Y.P.; Russell, D.R.","Structure cristallographique du trichloroamminoplatinate(II) de potassium monohydrate","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","540","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527777","11.857","","6.861","","5.808","","90","","90","","90","","472.486","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Pb2 Pd3 As","","- As Pb2 Pd3 -","- As Pb2 Pd3 -","- As4 Pb8 Pd12 -","4","0.5","","Matkovic, P.; Matkovic, T.","A new intermetallic phase in the Pd-Pb-As system","Journal of Alloys Compd.","1993","202","","107","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528248","2.82","","10.14","","8.28","","90","","90","","90","","236.765","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Na2 (Ni O2)","","- Na2 Ni O2 -","- Na2 Ni O2 -","- Na8 Ni4 O8 -","4","0.5","","Zentgraf, H.; Hoppe, R.","Ueber neue Oxoniccolate: Zur Kenntnis von Na2 (Ni O2) 2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","71","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528826","7.84","","12.47","","8.54","","90","","90","","90","","834.911","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ag5 (Sb S3) S","","- Ag5 S4 Sb -","- Ag5 S4 Sb -","- Ag20 S16 Sb4 -","4","0.5","","Ribar, B.; Nowacki, W.","Die Kristallstruktur von Stephanit (Sb S3) S Ag5","Schweizerische Mineralogische und Petrographische Mitteilungen","1969","49","","379","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530142","4.414","","19.728","","8.904","","90","","90","","90","","775.355","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","K Pb Br3 (H2 O)","","- Br3 H2 K O Pb -","- Br3 K O Pb -","- Br12 K4 O4 Pb4 -","4","0.5","","Keller, H.L.; Jess, I.","Darstellug und Kristallstrukturuntersuchung von K Pb Br3 * H2 O","Journal of the Less-Common Metals","1986","125","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530315","19.376","","8.114","","10.132","","90","","90","","90","","1592.92","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Cd3 Cs2 (O H)2 (S O4)3 (H2 O)2","","- Cd3 Cs2 H6 O16 S3 -","- Cd3 Cs2 O16 S3 -","- Cd12 Cs8 O64 S12 -","4","0.5","","Louer, M.; Louer, D.","Etude structurale des hydroxysulfates de cadmium V. Synthese et structure cristalline de Cd3 M2 (O H)2 (S O4)3 (H2 O)2 M= Cs,K","Revue de Chimie Minerale","1982","19","","162","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530316","18.657","","7.918","","9.94","","90","","90","","90","","1468.4","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Cd3 K2 (O H)2 (S O4)3 (H2 O)2","","- Cd3 H6 K2 O16 S3 -","- Cd3 K2 O16 S3 -","- Cd12 K8 O64 S12 -","4","0.5","","Louer, M.; Louer, D.","Etude structurale des hydroxysulfates de cadmium V. Synthese et structure cristalline de Cd3 M2 (O H)2 (S O4)3 (H2 O)2-M= Cs,K","Revue de Chimie Minerale","1982","19","","162","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530366","6.047","","14.355","","7.056","","90","","90","","90","","612.494","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","(N H4)2 (Mo O F5)","","- F5 H8 Mo N2 O -","- F5 H8 Mo N2 O -","- F20 H32 Mo4 N8 O4 -","4","0.5","","Mattes, R.; Mennemann, K.; Jaeckel, N.; Brockmeyer, H.J.; Rieskamp, H.","Structure and properties of the fluorine-rich oxofluoromolybdates Cs3 (Mo2 O6 F3), (N H4)3 (Mo2 O2 F9) and (N H4)2 (Mo O F5)","Journal of the Less-Common Metals","1980","76","","199","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530571","9.193","","5.4096","","4.819","","90","","90","","90","","239.651","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Si2 N2 (N H)","","- H N3 Si2 -","- N3 Si2 -","- N12 Si8 -","4","0.5","","Peters, D.; Jacobs, H.","Ammonothermalsynthese von Kristallinem Siliciumnitridimid, Si2 N2 N H","Journal of the Less-Common Metals","1989","146","","241","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530578","7.83","","12.45","","8.538","","90","","90","","90","","832.314","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ag5 Sb S4","","- Ag5 S4 Sb -","- Ag5 S4 Sb -","- Ag20 S16 Sb4 -","4","0.5","","Petrunina, A.A.; Maksimov, B.A.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of stephanite Ag5 Sb S4","Doklady Akademii Nauk SSSR","1969","188","","342","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530620","15.25","","7.601","","7.154","","90","","90","","90","","829.258","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","Na2 Mn In (Si O3 (O H))2 (O H)","","- H3 In Mn Na2 O9 Si2 -","- In Mn Na2 O9 Si2 -","- In4 Mn4 Na8 O36 Si8 -","4","0.5","","Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Litvin, B.N.; Belov, N.V.","Na2 Mn In (Si O3 (O H))2 (O H), the synthesis and the crystal structure","Doklady Akademii Nauk SSSR","1974","214","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531955","3.938","","10.983","","5.847","","90","","90","","90","","252.889","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","(K (N H2)) (N H3)","","- H5 K N2 -","- K N2 -","- K4 N8 -","4","0.5","","Peters, D.; Tenten, A.; Jacobs, H.","Wasserstoffbrueckenbindungen in den Monoammoniakaten von Kalium- und Caesiumamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1521","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532517","8.9643","","5.5366","","4.8899","","90","","90","","90","","242.694","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Si2 N2 O","","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Kroll, P.; Milko, M.","Theoretical investigation of the solid state reaction of silicon nitride and silicon dioxide forming silicon oxynitride (Si2 N2 O) under pressure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1737","1750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532590","9.26","","5.333","","4.869","","90","","90","","90","","240.449","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Li Al Si2 N4","","- Al Li N4 Si2 -","- Al Li N4 Si2 -","- Al3 Li3 N12 Si6 -","3","0.375","","Ischenko, V.; Kienle, L.; Jansen, M.","Formation and structure of (Li Si2 N3) - (Al N) solid solutions","Journal of Materials Science","2002","37","","5305","5317","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532894","15.106","","8.782","","14.3358","","90","","90","","90","","1901.8","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K5 (S (S3) (Mo F3) (Mo F2 (F H F))2) (H2 O)2","","- F11 H6 K5 Mo3 O2 S4 -","- F11 H2 K5 Mo3 O2 S4 -","- F44 H8 K20 Mo12 O8 S16 -","4","0.5","","Mironov, Yu.V.; Yarovoi, S.S.; Solodovnikov, S.F.; Fedorov, V.E.","Coordinated bifluoride ions in the first thiofluoride molybdenum triangular cluster complex: synthesis and crystal structure of K5 (Mo3 S4 F7 (F H F)2) * 2(H2 O)","Journal of Molecular Structure","2003","656","","195","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533013","9.5105","","11.5463","","5.9323","","90","","90","","90","","651.432","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Na3 (P O S3)","","- Na3 O P S3 -","- Na3 O P S3 -","- Na12 O4 P4 S12 -","4","0.5","","Pompetzki, M.; Jansen, M.","Natriumtrithiophosphat(V): Kristallstruktur und Natriumionenleitfaehigkeit","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1929","1933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533637","3.9313","","14.793","","5.618","","90","","90","","90","","326.719","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","La (Ta O4)","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Titov, Yu.O.; Kapshuk, A.O.; Sich, A.M.; Markiv, V.Ya.; Belyavina, N.M.; Slobodyanik, M.S.","Crystal structure of the orthorhombic modification of La Ta O4","Dopov. Nats. Akad. Nauk. Ukr.","2003","2003","","140","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533947","6.441","","16.41","","9.624","","90","","90","","90","","1017.23","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Tl Ni4 (P O4)3","","- Ni4 O12 P3 Tl -","- Ni4 O12 P3 Tl -","- Ni16 O48 P12 Tl4 -","4","0.5","","Panahandeh, A.; Jung, W.","The oxidation of heterogeneous Tl/Ni/P alloys - preparation and crystal structures of the thallium nickel phosphates Tl Ni4 (P O4)3, Tl4 Ni7 (P O4)6 and Tl2 Ni4 (P2 O7) (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1651","1660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534054","9.182","","11.5396","","5.5748","","90","","90","","90","","590.687","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Nd3 (Ga O4) O2","","- Ga Nd3 O6 -","- Ga Nd3 O6 -","- Ga4 Nd12 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Song, G.B.; Liang, J.K.; Yang, L.T.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534055","9.0743","","11.407","","5.5181","","90","","90","","90","","571.182","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Sm3 (Ga O4) O2","","- Ga O6 Sm3 -","- Ga O6 Sm3 -","- Ga4 O24 Sm12 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Rao, G.H.; Song, G.B.; Luo, J.; Yang, L.T.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534056","9.0284","","11.342","","5.4954","","90","","90","","90","","562.73","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Eu3 (Ga O4) O2","","- Eu3 Ga O6 -","- Eu3 Ga O6 -","- Eu12 Ga4 O24 -","4","0.5","","Liu, F.S.; Luo, J.; Liu, Q.L.; Song, G.B.; Yang, L.T.; Liang, J.K.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534057","8.9911","","11.2801","","5.4796","","90","","90","","90","","555.744","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Gd3 (Ga O4) O2","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Yang, L.T.; Song, G.B.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534058","8.9344","","11.2153","","5.4447","","90","","90","","90","","545.57","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tb3 (Ga O4) O2","","- Ga O6 Tb3 -","- Ga O6 Tb3 -","- Ga4 O24 Tb12 -","4","0.5","","Liu, F.S.; Liang, J.K.; Liu, Q.L.; Yang, L.T.; Rao, G.H.; Song, G.B.; Luo, J.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534059","8.8875","","11.1512","","5.4217","","90","","90","","90","","537.325","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Dy3 (Ga O4) O2","","- Dy3 Ga O6 -","- Dy3 Ga O6 -","- Dy12 Ga4 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Rao, G.H.; Yang, L.T.; Song, G.B.; Luo, J.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534060","8.8451","","11.0931","","5.4027","","90","","90","","90","","530.111","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ho3 (Ga O4) O2","","- Ga Ho3 O6 -","- Ga Ho3 O6 -","- Ga4 Ho12 O24 -","4","0.5","","Liu, F.S.; Luo, J.; Liu, Q.L.; Liang, J.K.; Yang, L.T.; Rao, G.H.; Song, G.B.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534061","8.8009","","11.0345","","5.3802","","90","","90","","90","","522.49","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Er3 (Ga O4) O2","","- Er3 Ga O6 -","- Er3 Ga O6 -","- Er12 Ga4 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Yang, L.T.; Liang, J.K.; Song, G.B.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534064","15.157","","14.079","","13.439","","90","","90","","90","","2867.82","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Cs2 (U O2) ((U O2) (As O4))4 (H2 O)2","","- As4 Cs2 H4 O28 U5 -","- As4 Cs2 O28 U5 -","- As16 Cs8 O112 U20 -","4","0.5","","Locock, A.J.; Burns, P.C.","Structures and synthesis of framework Rb and Cs uranyl arsenates and their relationships with their phosphate analogues","Journal of Solid State Chemistry","2003","175","","372","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534092","4.476","","13.972","","5.551","","90","","90","","90","","347.152","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Cu F4 -","- Ba Cu F4 -","- Ba4 Cu4 F16 -","4","0.5","","von Schnering, H.G.; Kolloch, B.; Kolodziejczyk, A.","Structure of ternary copper(II) and chromium(II) fluorides","Angewandte Chemie (German Edition)","1971","83","","440","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534262","24.849","","5.4536","","5.4619","","90","","90","","90","","740.178","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Bi2.53 Li0.29 (Nb2 O9)","","- Bi2.53 Li0.29 Nb2 O9 -","- Bi2.53 Li0.29 Nb2 O9 -","- Bi10.12 Li1.16 Nb8 O36 -","4","0.5","","Beskrovnyi, A.I.; Vasilevskii, S.G.; Martinez Sarrion, M.L.; Balagurov, A.M.; Belushkin, A.V.; Smirnov, L.S.; Mestres, L.; Herriaz, M.","Structural study of new compound Bi2.53 Li0.29 Nb2 O9 by powder neutron diffraction method","Kristallografiya","2003","48","","440","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","160806","2020-10-21","18:00:00",""
"1534512","9.307","","8.297","","8.879","","90","","90","","90","","685.638","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","K3 Ti F3 (O2)2","","- F3 K3 O4 Ti -","- F3 K3 O4 Ti -","- F12 K12 O16 Ti4 -","4","0.5","","Gerasimenko, A.V.; Bukvetskii, B.V.; Didenko, N.A.; Chernyshev, B.N","Crystal structure of K3TiF3(O2)2 compound","Zhurnal Neorganicheskoi Khimii","1990","35","","1611","1613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534651","5.821","","11.711","","7.924","","90","","90","","90","","540.177","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Rb2 Li (As O4)","","- As Li O4 Rb2 -","- As Li O4 Rb2 -","- As4 Li4 O16 Rb8 -","4","0.5","","Schneidersmann, C.; Hoppe, R.","Neue Alkalioxoarsenate (V): Zur Kenntnis von Rb2 Li (As O4) und Cs2 Li (As O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534653","5.964","","12.234","","8.197","","90","","90","","90","","598.082","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs2 Li (As O4)","","- As Cs2 Li O4 -","- As Cs2 Li O4 -","- As4 Cs8 Li4 O16 -","4","0.5","","Schneidersmann, C.; Hoppe, R.","Neue Alkalioxoarsenate (V): Zur Kenntnis von Rb2Li(AsO4) und Cs2Li(AsO4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","610","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534745","9.4842","","5.5207","","5.0328","","90","","90","","90","","263.515","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Li1.33 Ge1.67 N2 O","","- Ge1.67 Li1.33 N2 O -","- Ge1.66 Li1.34 N1.98 O1.02 -","- Ge6.64 Li5.36 N7.92 O4.08 -","4","0.5","","Bacher, P.; Laurent, Y.; Malhaire, J.M.; Guyader, J.; Roult, G.","Analyse structurale de la phase Li10x Ge2-x N3-3x O3x, par diffraction de neutrons selon la methode du temps de vol: mise en evidence d'une structure tetraedtrique normale partiellement ordonnee","Journal of Solid State Chemistry","1984","51","","183","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535459","10.74","","11.78","","13.58","","90","","90","","90","","1718.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tl10 Sb2 O10","","- O10 Sb2 Tl10 -","- O10 Sb2 Tl10 -","- O40 Sb8 Tl40 -","4","0.5","","Bouchama, M.; Tournoux, M.","Structure cristalline de l'antimonate de thallium Tl5 Sb O5","Revue de Chimie Minerale","1975","12","","93","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","162849","2020-10-21","18:00:00",""
"1535615","4.7336","","7.4083","","13.943","","90","","90","","90","","488.952","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Hg I2 -","- Hg I2 -","- Hg4 I8 -","4","0.5","","Hostettler, M.; Birkedal, H.; Schwarzenbach, D.","The yellow polymorphs of mercuric iodide Hg I2","Helvetica Chimica Acta","2003","86","","1410","1422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536310","11.1528","","16.2291","","5.0372","","90","","90","","90","","911.733","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Hg2 (Se O3)","","- Hg2 O3 Se -","- Hg2 O3 Se -","- Hg16 O24 Se8 -","8","1","","Weil, M.","Polymorphism in mercury(I) selenite(IV): preparation, crystal structures of alpha-, beta- and gamma-(Hg2 Se O3) and thermal behaviour of the alpha- and beta-modification","Journal of Solid State Chemistry","2003","172","","35","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536362","9.291","","8.213","","8.829","","90","","90","","90","","673.714","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","K3 (Ti F3 (O2)2)","","- F3 K3 O4 Ti -","- F3 K3 O4 Ti -","- F12 K12 O16 Ti4 -","4","0.5","","Overchuk, E.I.; Bukvetskii, B.V.; Sergienko, V.I.","Crystal structure of K3TiF3(O2)2 at 120K and the effect of outer sphere surroundings on the parameters of electron structure of peroxofluorotitanate ion","Zhurnal Neorganicheskoi Khimii","1994","39","","887","891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536375","4.628","","6.802","","12.476","","90","","90","","90","","392.74","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Hg Br2","","- Br2 Hg -","- Br2 Hg -","- Br8 Hg4 -","4","0.5","","Pakhomov, V.I.; Goryunov, A.V.; Boguslavskii, A.A.; Lotfullin, R.Sh.; Ivanova-Korfini, I.N.","Refinement of Hg Br2 structure","Zhurnal Neorganicheskoi Khimii","1990","35","","2476","2478","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536442","12.618","","7.2241","","6.9367","","90","","90","","90","","632.306","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cu Hg2 S2 I","","- Cu1.06 Hg1.94 I S2 -","- Cu1.06 Hg1.94 I S2 -","- Cu4.24 Hg7.76 I4 S8 -","4","0.5","","Keller, H.L.; Wimbert, L.","Ueber Muenzmetall - Quecksilber - Chalkogenidhalogenide. IV. Hydrothermalsynthese und Kristallstruktur von Cu Hg S I und Cu Hg2 S2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536608","17.945","","7.557","","9.76","","90","","90","","90","","1323.56","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","K2 Co3 (O H)2 (S O4)3 (H2 O)2","","- Co3 H6 K2 O16 S3 -","- Co3 H6 K2 O16 S3 -","- Co12 H24 K8 O64 S12 -","4","0.5","","Effenberger, H.; Langhof, H.","Die Kristallstruktur von Dikalium-tricobalt(II)-dihydroxid trisulfat-dihydrat, K2 Co3 (O H)2 (S O4)3 (H2 O)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1984","115","","165","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536669","5.879","","11.701","","7.933","","90","","90","","90","","545.712","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Rb2 (Li V O4)","","- Li O4 Rb2 V -","- Li O4 Rb2 V -","- Li4 O16 Rb8 V4 -","4","0.5","","Kissel, J.; Hoppe, R.","Ueber ""Lithovanadate"": Zur Kenntnis von Rb2 (Li V O4)und Cs2 (Li V O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","571","","113","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536671","6.105","","12.226","","8.155","","90","","90","","90","","608.687","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs2 (Li V O4)","","- Cs2 Li O4 V -","- Cs2 Li O4 V -","- Cs8 Li4 O16 V4 -","4","0.5","","Kissel, J.; Hoppe, R.","Ueber ""Lithovanadate"": Zur Kenntnis von Cs2 (Li V O4)und Cs2 (Li V O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","571","","113","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536698","5.315","","7.305","","6.624","","90","","90","","90","","257.184","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Br F3 -","- Br F3 -","- Br4 F12 -","4","0.5","","Ellern, A.M.; Antipin, M.Yu.; Sukhoverkhov, V.F.; Struchkov, Yu.T.","Crystal structure of bromine trifluoride at -120C","Zhurnal Neorganicheskoi Khimii","1991","36","","1393","1395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536735","7.872","","10.529","","11.77","","90","","90","","90","","975.548","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K Ba2 As5","","- As5 Ba2 K -","- As5 Ba2 K -","- As20 Ba8 K4 -","4","0.5","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537034","4.19","","18.41","","15.105","","90","","90","","90","","1165.17","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tm4 Zn5 Ge6","","- Ge6 Tm4 Zn5 -","- Ge6 Tm4 Zn5 -","- Ge24 Tm16 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn5 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","164999","2020-10-21","18:00:00",""
"1537036","4.179","","18.368","","15.05","","90","","90","","90","","1155.24","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Lu4 Zn5 Ge6","","- Ge6 Lu4 Zn5 -","- Ge6 Lu4 Zn5 -","- Ge24 Lu16 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn6 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","165003","2020-10-21","18:00:00",""
"1537037","4.249","","18.663","","15.423","","90","","90","","90","","1223.03","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Gd4 Zn5 Ge6","","- Gd4 Ge6 Zn5 -","- Gd4 Ge6 Zn5 -","- Gd16 Ge24 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn5 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","165007","2020-10-21","18:00:00",""
"1537048","13.18","","8.035","","11.44","","90","","90","","90","","1211.51","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","(U O2) (N O3)2 (H2 O)6","","- H12 N2 O14 U -","- N2 O14 U -","- N8 O56 U4 -","4","0.5","","Fleming, J.E.; Lynton, H.","Crystal structure of uranyl nitrate hexahydrate","Chemistry and Industry (London)","1960","1960","","1416","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537070","36.84","","22.782","","22.931","","90","","90","","90","","19245.7","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Mg402.29 Zn685.71 -","- Mg402.284 Zn685.716 -","- Mg402.284 Zn685.716 -","1","0.125","","Kreiner, G.","Towards realistic quasiperiodic structures: Modelling, synthesis and structure of(Ga,Al)175-dMg97+d - a large 3/2-2/1-2/1 Fibonacci approximant","Journal of Alloys Compd.","2002","338","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537099","4.1698","","23.254","","10.7299","","90","","90","","90","","1040.42","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ga4 Ge6 Yb2 -","- Ga4 Ge6 Yb2 -","- Ga16 Ge24 Yb8 -","4","0.5","","Zhuraleva, M.A.; Kannewurf, C.R.; Salvador, J.; Ireland, J.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537205","7.71","","18.823","","13.164","","90","","90","","90","","1910.43","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K3 Zr F5 (S O4) (H2 O)","","- F5 H2 K3 O5 S Zr -","- F5 H K3 O5 S Zr -","- F40 H8 K24 O40 S8 Zr8 -","8","1","","Kuznetsov, V.Ya.; Gusev, A.I.; Chuklanova, E.B.; Rogachev, D.L.","Crystal structure of K3ZrF5SO4(H2O) orthorombic modification","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1992","33","","193","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537273","3.1649","","11.1599","","4.9732","","90","","90","","90","","175.653","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","W P2","","- P2 W -","- P2 W -","- P8 W4 -","4","0.5","","Ruehl, R.; Jeitschko, W.","Ueber Polyphosphide von Chrom, Molybdaen und Wolfram","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","817","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538345","9.759","","5.635","","4.743","","90","","90","","90","","260.827","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Mg2 P N3","","- Mg2 N3 P -","- Mg2 N3 P -","- Mg8 N12 P4 -","4","0.5","","Marchand, R.; Laurent, Y.","Mise en evidence de tetraedres P N4 dans le nitrure Mg2 P N3 de type Wurtzite","Materials Research Bulletin","1982","17","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538491","9.98","","16.15","","11.65","","90","","90","","90","","1877.71","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","((P Cl4) (Sb Cl6)) (As Cl3)","","- As Cl13 P Sb -","- As Cl13 P Sb -","- As4 Cl52 P4 Sb4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538492","10.03","","16.32","","11.71","","90","","90","","90","","1916.81","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","P Cl4 Nb Cl6 As Cl3","","- As Cl13 Nb P -","- As Cl13 Nb P -","- As4 Cl52 Nb4 P4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538493","10.09","","16.1","","11.67","","90","","90","","90","","1895.78","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","P Cl4 Ta Cl6 As Cl3","","- As Cl13 P Ta -","- As Cl13 P Ta -","- As4 Cl52 P4 Ta4 -","4","0.5","","Preiss, H.; Reich, P.","Kristallchemische und spektroskopische Untersuchungen an den Verbindungen P Cl4 (Sb, Nb, Ta) Cl6 * As Cl3","Kristall und Technik","1971","6","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538497","10.02","","16.2","","11.67","","90","","90","","90","","1894.32","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","As Cl5 Sb Cl5 As Cl3","","- As2 Cl13 Sb -","- As2 Cl13 Sb -","- As8 Cl52 Sb4 -","4","0.5","","Preiss, H.","Darstellung und Kristallstruktur der Verbindung As Cl5 Sb Cl5 As Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","380","","71","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542179","9.558","","13.62","","7.518","","90","","90","","90","","978.693","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K Os H2 O N Br4 H2 O","","- Br4 H4 K N O2 Os -","- Br4 H4 K N O2 Os -","- Br16 H16 K4 N4 O8 Os4 -","4","0.5","","Tkachev, V.V.; Krasochka, O.N.; Atovmyan, L.O.","On the Structure of the Crystals K (Os N Br4 H2 O) H2 O and K2 Mo O Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","940","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1543464","18.5357","0.0005","20.6392","0.001","14.1552","0.0007","90","","90","","90","","5415.2","0.4","198","2","198","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C59 H52 B4 Cl2 N4 O8 S2 -","- C59 H52 B4 Cl2 N4 O8 S2 -","- C236 H208 B16 Cl8 N16 O32 S8 -","4","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0965","0.0691","","","0.1682","0.219","","","","","","1.142","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1544503","9.802","0.0004","5.6506","0.0002","5.0633","0.0002","90","","90","","90","","280.442","0.019","","","","","","","","","","","","5","C m c 21","C 2c -2","36","Ca0.88Al0.91Si1.09N2.85O0.15","","","- Al0.91 Ca0.88 N2.85 O0.15 Si1.09 -","- Al0.91 Ca0.877 N2.85 O0.15 Si1.09 -","- Al3.64 Ca3.508 N11.4 O0.6 Si4.36 -","4","0.5","","Uheda, K.; Yamamoto, H.; Yamane, H.; Inami, W.; Tsuda, K.; Yamamoto, Y.; Hirosaki, N.","An analysis of crystal structure of Ca-deficient oxonitridoaluminosilicate, Ca0.88Al0.91Si1.09N2.85O0.15","Journal of the Ceramic Society of Japan","2009","117","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","187867","2020-10-21","18:00:00",""
"1544805","13.5787","0.0003","12.2769","0.0002","11.1774","0.0002","90","","90","","90","","1863.32","0.06","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H21 B F3 N5 O3 S -","- C12 H21 B F3 N5 O3 S -","- C48 H84 B4 F12 N20 O12 S4 -","4","0.5","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0702","0.0684","","","0.1904","0.194","","","","","","1.061","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1545125","5.682","0.013","14.973","0.034","7.692","0.017","90","","90","","90","","654","3","","","","","","","","","","","","3","C m c 21","C 2c -2","36","9Al2O3*2B2O3","","","- Al18 B4 O33 -","- Al20 B4 O36 -","- Al20 B4 O36 -","1","0.125","","Ihara, M.; Imai, K.; Fukunaga, J.; Yoshida, N.","Crystal structure of boroaluminate, 9Al2O3*2B2O3","Yogyo-Kyokai-Shi","1980","88","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","190836","2020-10-21","18:00:00",""
"1545183","14.1208","0.0006","8.7037","0.0006","9.5917","0.0005","90","","90","","90","","1178.85","0.11","100","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C15 H15 Np -","- C15 H15 Np -","- C60 H60 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0145","0.0141","","","0.0355","0.0359","","","","","","1.033","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1546449","10.8977","0.0004","12.4002","0.0004","11.6286","0.0002","90","","90","","90","","1571.42","0.08","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H14 B Cl2 I N4 -","- C10 H14 B Cl2 I N4 -","- C40 H56 B4 Cl8 I4 N16 -","4","0.5","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0184","0.0169","","","0.0351","0.0359","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546456","11.3418","0.0003","18.4372","0.0005","12.9532","0.0003","90","","90","","90","","2708.66","0.12","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12.5 H14 B Cl N4 -","- C12.5 H14 B Cl N4 -","- C100 H112 B8 Cl8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0335","0.0327","","","0.0851","0.0861","","","","","","1.049","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1547182","10.666","0.002","13.489","0.003","8.8593","0.0018","90","","90","","90","","1274.6","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","0.5","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.0479","0.0366","","","0.0877","0.0933","","","","","","1.047","","","","has coordinates","200922","2020-10-21","18:00:00",""
"1547764","21.7439","0.0008","20.2524","0.0004","11.8321","0.0003","90","","90","","90","","5210.5","0.3","150","2","150","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C52 H58 F6 Ir N8 O4 P -","- C52 H58 F6 Ir N8 O4 P -","- C208 H232 F24 Ir4 N32 O16 P4 -","4","0.5","","Venkatesh, V.; Berrocal-Martin, Raul; Wedge, Christopher J.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Song, Ji-Inn; Coverdale, James P. C.; Zhang, Pingyu; Clarkson, Guy J.; Habtemariam, Abraha; Magennis, Steven W.; Deeth, Robert J.; Sadler, Peter J.","Mitochondria-targeted spin-labelled luminescent iridium anticancer complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03216A","","x-ray","0.71073","MoKα","","0.1464","0.0626","","","0.1242","0.1537","","","","","","1.029","","","","has coordinates,has disorder","202245","2020-10-21","18:00:00",""
"1549111","12.6196","0.0002","14.8011","0.0004","13.2994","0.0002","90","","90","","90","","2484.11","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","Vargini's Ni(I)(PEt3)2(C6F4I)","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.0434","0.0447","","","","","","1.065","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549945","31.944","0.002","7.0229","0.0005","6.1827","0.0005","90","","90","","90","","1387.02","0.17","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","2-fluoro-1,3-bis(4-methoxyphenyl)-1,3-propanedione","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0953","0.0994","","","","","","1.042","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1551680","16.0463","0.0015","12.8608","0.0008","12.8905","0.0009","90","","90","","90","","2660.2","0.4","93","","93","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H20 Cu2 N4 O13 S -","- C24 H16 Cu2 N4 O14 S -","- C96 H64 Cu8 N16 O56 S4 -","4","0.5","","YOKOYAMA, Takashi; SHIBA, Takuya; YOSHISE, Masakazu; TODA, Masanori; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of a Copper(II)-2-pyridinecarboxylic Acid Anhydride Complex","X-ray Structure Analysis Online","2013","29","0","27","","10.2116/xraystruct.29.27","","","0.71069","MoKα","","","0.0613","","","","0.1709","","","","","","1.066","","","","has coordinates","216291","2020-10-21","18:00:00",""
"1552041","20.976","0.014","8.383","0.005","15.189","0.01","90","","90","","90","","2671","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H38 Fe2 N2 S2 -","- C27 H37 Fe2 N2 S2 -","- C108 H148 Fe8 N8 S8 -","4","0.5","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0748","0.0493","","","0.1297","0.1427","","","","","","1.05","","","","has coordinates","216859","2020-10-21","18:00:00",""
"1552714","19.886","0.004","20.698","0.004","20.515","0.004","90","","90","","90","","8444","3","100","2","100.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C78 H73 F30 N11 P5 -","- C78 H73 F30 N11 P5 -","- C312 H292 F120 N44 P20 -","4","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0876","0.0542","","","0.1341","0.1579","","","","","","1.051","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1554007","34.7372","0.0018","6.7517","0.0003","7.1631","0.0003","90","","90","","90","","1680","0.13","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","0.5","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0301","0.0299","","","0.0769","0.0771","","","","","","1.088","","","","has coordinates","236418","2020-10-21","18:00:00",""
"1556856","10.0374","0.0015","31.171","0.006","8.3311","0.0014","90","","90","","90","","2606.6","0.8","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H24 Hg I2 N2 O S3 -","- C21 H24 Hg I2 N2 O S3 -","- C84 H96 Hg4 I8 N8 O4 S12 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0349","0.0345","","","0.1024","0.1028","","","","","","1.024","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1557425","11.2828","0.0008","17.8489","0.0014","12.4059","0.0011","90","","90","","90","","2498.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19 H33 Cl2 N O11 -","- C19 H33 Cl2 N O11 -","- C76 H132 Cl8 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.1327","0.1052","","","0.2823","0.3139","","","","","","1.064","","","","has coordinates","248620","2020-10-21","18:00:00",""
"1557426","11.1097","0.0013","18.09","0.002","12.2804","0.0017","90","","90","","90","","2468","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C19 H33 Cl F N O11 -","- C19 H33 Cl F N O11 -","- C76 H132 Cl4 F4 N4 O44 -","4","0.5","","Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi","Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.0c01122","","","0.71073","MoKα","","0.2032","0.1126","","","0.2849","0.3462","","","","","","1.041","","","","has coordinates","248621","2020-10-21","18:00:00",""
"1558457","4.6925","0.0009","21.583","0.005","8.148","0.001","90","","90","","90","","825.2","0.3","","","298","","","","","","","","","5","C m c 21","C 2c -2","36","Ammonium Trichloromonoammineplatinate(II) NH4[PtCl3NH3].H2O","","","- Cl3 H9 N2 O Pt -","- Cl3 N2 O Pt -","- Cl12 N8 O4 Pt4 -","4","0.5","","Oksanen, Anneli; Leskela, Markku","Synthesis of Ammonium Trichloromonoammineplatinate(II) Improved through Control of Temperature","Acta Chemica Scandinavica","1994","48","","485","489","10.3891/acta.chem.scand.48-0485","","x-ray","0.71069","MoKα","","","0.035","","","0.036","","","","","","","2.525","","","","has coordinates","253611","2020-10-21","18:00:00",""
"1558949","21.103","0.004","11.151","0.002","7.374","0.001","90","","90","","90","","1735.2","0.5","","","121","","","","","","","","","3","C m c 21","C 2c -2","36","1,7-diphenyl-4-propenyl-1,6-heptadiene-3,5-dione","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","0.5","","Gorbitz, Carl Henrik; Mostad, Arvid","Structural Studies of Curcuminoids. VII. Crystal and Molecular Structure of 1,7-diphenyl-4-propenyl-1,6-heptadiene-3,5-dione","Acta Chemica Scandinavica","1993","47","","509","513","10.3891/acta.chem.scand.47-0509","","x-ray","0.71069","MoKα","","","0.0298","","","0.0348","","","","","","","2.64","","","","has coordinates","255777","2020-10-21","18:00:00",""
"1560115","18.363","0.005","3.83","0.0009","14.745","0.003","90","","90","","90","","1037","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Mo N4 O4 -","- C6 H6 Mo N4 O4 -","- C24 H24 Mo4 N16 O16 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands","Catalysis Science & Technology","2021","11","6","2214","2228","10.1039/D1CY00055A","","","0.71073","MoKα","","0.1075","0.0574","","","0.123","0.1405","","","","","","1.188","","","","has coordinates","263612","2021-04-05","13:49:54",""
"1561793","7.3262","0.0008","12.518","0.002","11.3324","0.0014","90","","90","","90","","1039.3","0.2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cl4 Hg3 Se2 Zn -","- Cl4 Hg3 Se2 Zn -","- Cl16 Hg12 Se8 Zn4 -","4","0.5","","Zhang, Guodong; Xiong, Wei-Wei; Nie, Lina; Zhang, Qichun","Synthesis, crystal structure and optical property of a novel metal chalcohalide: ZnHg3Se2Cl4","Journal of Solid State Chemistry","2015","230","","182","185","10.1016/j.jssc.2015.06.032","","","0.71073","MoKα","","0.0993","0.0893","","","0.2547","0.2673","","","","","","1.091","","","","has coordinates,has disorder","264187","2021-04-15","07:24:59",""
"1562573","4.1777","0.0007","15.925","0.003","7.3008","0.0012","90","","90","","90","","485.72","0.15","200","2","200","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Eu2 P2 Zn -","- Eu2 P2 Zn -","- Eu8 P8 Zn4 -","4","0.5","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang; Schäfer, Marion C.; Bobev, Svilen","New ternary phosphides and arsenides. Syntheses, crystal structures, physical properties of Eu2ZnP2, Eu2Zn2P3 and Eu2Cd2As3","Journal of Solid State Chemistry","2013","205","","116","121","10.1016/j.jssc.2013.06.029","","","0.71073","MoKα","","0.0168","0.0164","","","0.0391","0.0393","","","","","","1.013","","","","has coordinates","265260","2021-05-17","07:03:53",""
"1562734","4.305","0.0009","18.968","0.004","13.034","0.003","90","","90","","90","","1064.3","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Sb Se5 -","- Ba2 In Sb Se5 -","- Ba8 In4 Sb4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.045","0.0409","","","0.0794","0.081","","","","","","0.901","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562774","5.8846","0.0008","14.973","0.001","7.7966","0.0005","90","","90","","90","","686.96","0.11","293","","293","","","","","","","","synthesis as described","3","C m c 21","C 2c -2","36","","","","- Al3 Ca2 Si4 -","- Al3 Ca2 Si4 -","- Al12 Ca8 Si16 -","4","0.5","","Tanaka, Masashi; Zhang, Shuai; Tanaka, Yuki; Inumaru, Kei; Yamanaka, Shoji","High pressure synthesis and crystal structure of a ternary superconductor Ca2Al3Si4 containing layer structured calcium sub-network isomorphous with black phosphorus","Journal of Solid State Chemistry","2013","198","","445","451","10.1016/j.jssc.2012.11.011","","x-ray","0.71069","MoKα","","0.034","0.0326","","","0.0907","0.0913","","","","","","1.13","","","","has coordinates","265409","2021-05-21","07:56:20",""
"1563180","13.5536","0.0011","18.4678","0.0017","9.2509","0.0008","90","","90","","90","","2315.5","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- H6 O15 S3 Yb2 -","- O15 S3 Yb2 -","- O120 S24 Yb16 -","8","1","","Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati","The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3","Journal of Solid State Chemistry","2011","184","9","2322","2328","10.1016/j.jssc.2011.06.018","","","0.71073","MoKα","","0.015","0.0145","","","0.0292","0.0293","","","","","","1.072","","","","has coordinates","266211","2021-06-07","08:01:28",""
"1563237","22.96","0.003","15.693","0.003","11.7964","0.0019","90","","90","","90","","4250.4","1.2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H60 Cu2 I6 N4 O2 -","- C26 H52 Cu2 I6 N4 O2 -","- C104 H208 Cu8 I24 N16 O8 -","4","0.5","","Hou, Qin; Zhao, Jin-Jing; Zhao, Tian-Qi; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated photoluminescence iodocuprates(I)","Journal of Solid State Chemistry","2011","184","7","1756","1760","10.1016/j.jssc.2011.05.010","","","0.71073","MoKα","","0.0551","0.0438","","","0.1104","0.1195","","","","","","0.996","","","","has coordinates","266267","2021-06-08","09:49:32",""
"1563492","15.6276","","14.1341","","13.604","","90","","90","","90","","3004.88","","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C4 H20 N2 O28 U5 V4 -","- C3 N2 O28 U5 V4 -","- C12 N8 O112 U20 V16 -","4","0.5","","Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis","New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates","Journal of Solid State Chemistry","2010","183","10","2290","2297","10.1016/j.jssc.2010.07.035","","","0.71069","MoKα","","0.0402","0.0284","","","0.026","0.027","","","","2.51","2.51","2.33","","","","has coordinates","266470","2021-06-15","08:24:10",""
"1563528","10.275","0.009","15.446","0.002","23.386","0.002","90","","90","","90","","3712","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Eu Mg13 Na7 O48 P12 -","- Eu Mg13 Na7 O48 P12 -","- Eu4 Mg52 Na28 O192 P48 -","4","0.5","","Jerbi, Hasna; Hidouri, Mourad; Glorieux, Benoit; Darriet, Jacques; Garcia, Alain; Jubera, Véronique; Ben Amara, Mongi","Synthesis, crystal structure and optical investigation of the new phosphates: Na7Mg13Ln(PO4)12 (Ln=La, Eu)","Journal of Solid State Chemistry","2010","183","8","1752","1760","10.1016/j.jssc.2010.05.010","","","0.71073","MoKα","","0.0305","0.0252","","","0.0596","0.0639","","","","","","1.12","","","","has coordinates","266492","2021-06-16","09:33:41",""
"1563769","15.2754","0.0002","14.1374","0.0002","13.6609","0.0002","90","","90","","90","","2950.13","0.07","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H16 N2 O28 U5 V4 -","- C3 N2 O28 U5 V4 -","- C12 N8 O112 U20 V16 -","4","0.5","","Jouffret, Laurent; Rivenet, Murielle; Abraham, Francis","A new series of pillared uranyl-vanadates based on uranophane-type sheets in the uranium-vanadium-linear alkyl diamine systems","Journal of Solid State Chemistry","2010","183","1","84","92","10.1016/j.jssc.2009.10.020","","","0.71069","MoKα","","0.0656","0.0526","","","0.0555","0.057","","","","1.82","1.82","1.71","","","","has coordinates","266771","2021-06-29","09:20:14",""
"1563770","15.5585","0.001","14.1876","0.0009","13.6903","0.0009","90","","90","","90","","3022","0.3","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C4 H20 N2 O29 U5 V4 -","- C4 N2 O29 U5 V4 -","- C16 N8 O116 U20 V16 -","4","0.5","","Jouffret, Laurent; Rivenet, Murielle; Abraham, Francis","A new series of pillared uranyl-vanadates based on uranophane-type sheets in the uranium-vanadium-linear alkyl diamine systems","Journal of Solid State Chemistry","2010","183","1","84","92","10.1016/j.jssc.2009.10.020","","","0.71069","MoKα","","0.0401","0.034","","","0.0385","0.0401","","","","1.24","1.24","1.23","","","","has coordinates","266771","2021-06-29","09:20:23",""
"1563771","15.7246","0.0007","14.1208","0.0005","13.5697","0.0005","90","","90","","90","","3013.1","0.2","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H18 N2 O27 U5 V4 -","- C5 N2 O27 U5 V4 -","- C20 N8 O108 U20 V16 -","4","0.5","","Jouffret, Laurent; Rivenet, Murielle; Abraham, Francis","A new series of pillared uranyl-vanadates based on uranophane-type sheets in the uranium-vanadium-linear alkyl diamine systems","Journal of Solid State Chemistry","2010","183","1","84","92","10.1016/j.jssc.2009.10.020","","","0.71069","MoKα","","0.0615","0.0488","","","0.0471","0.0483","","","","1.97","1.97","1.83","","","","has coordinates","266771","2021-06-29","09:20:23",""
"1563772","15.6926","0.0005","14.2108","0.0003","13.7003","0.0003","90","","90","","90","","3055.23","0.13","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H22 N2 O27 U5 V4 -","- C6 N2 O27 U5 V4 -","- C24 N8 O108 U20 V16 -","4","0.5","","Jouffret, Laurent; Rivenet, Murielle; Abraham, Francis","A new series of pillared uranyl-vanadates based on uranophane-type sheets in the uranium-vanadium-linear alkyl diamine systems","Journal of Solid State Chemistry","2010","183","1","84","92","10.1016/j.jssc.2009.10.020","","","0.71069","MoKα","","0.0677","0.0533","","","0.0563","0.0578","","","","2.06","2.06","1.89","","","","has coordinates","266771","2021-06-29","09:20:24",""
"1563773","15.9505","0.0006","14.1889","0.0006","13.7168","0.0005","90","","90","","90","","3104.4","0.2","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C7 H22 N2 O27 U5 V4 -","- N O27 U5 V4 -","- N4 O108 U20 V16 -","4","0.5","","Jouffret, Laurent; Rivenet, Murielle; Abraham, Francis","A new series of pillared uranyl-vanadates based on uranophane-type sheets in the uranium-vanadium-linear alkyl diamine systems","Journal of Solid State Chemistry","2010","183","1","84","92","10.1016/j.jssc.2009.10.020","","","0.71069","MoKα","","0.0882","0.0465","","","0.0497","0.0537","","","","1.49","1.49","1.31","","","","has coordinates","266771","2021-06-29","09:20:24",""
"1564848","23.4161","0.0003","13.2985","0.0001","7.2391","0.0001","90","","90","","90","","2254.25","0.05","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H22 Cu N4 O10 S2 -","- C17 H22 Cu N4 O10 S2 -","- C68 H88 Cu4 N16 O40 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0821","0.0822","","","","","","1.031","","","","has coordinates","269810","2021-10-06","23:45:26",""
"1565568","11.6074","0.0009","8.5215","0.0007","15.0981","0.0012","90","","90","","90","","1493.4","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F4 I3 K3 O12 V2 -","- F4 I3 K3 O12 V2 -","- F16 I12 K12 O48 V8 -","4","0.5","","Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao","K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations","Chemical Science","2022","13","2","454","460","10.1039/D1SC06026K","","","0.71073","MoKα","","0.0286","0.0272","","","0.0655","0.0664","","","","","","1.022","","","","has coordinates","272584","2022-02-04","19:13:32",""
"1566645","4.5019","0.0005","7.7978","0.0008","7.328","0.0002","90","","90","","90","","257.25","0.04","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","ice XI","","- D2 O -","- D2 O -","- D16 O8 -","8","1","","Leadbetter, A. J.; Ward, R. C.; Clark, J. W.; Tucker, P. A.; Matsuo, T.; Suga, H.","The equilibrium low-temperature structure of ice","The Journal of Chemical Physics","1985","82","","424","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273839","2022-03-20","06:35:34",""
"1566844","14.732","0.009","10.702","0.007","7.661","0.005","90","","90","","90","","1207.8","1.3","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H11 N O2 -","- C16 H10 N O2 -","- C64 H40 N4 O8 -","4","0.5","","Owatari, Yoshihiro; Iseki, Shuta; Ogata, Daiji; Yuasa, Junpei","Catalytic electron drives host–guest recognition","Chemical Science","2022","","","","","10.1039/D2SC01342H","","","0.71073","MoKα","","0.0488","0.0466","","","0.1456","0.1485","","","","","","1.139","","","","has coordinates","274607","2022-04-20","22:14:59",""
"1567391","12.1122","0.0006","10.6192","0.0006","7.8333","0.0004","90","","90","","90","","1007.53","0.09","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 F5 I O4 W -","- Cs2 F5 I O4 W -","- Cs8 F20 I4 O16 W4 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi","Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering","Chemical Science","2022","","","","","10.1039/D2SC02137D","","","0.71073","MoKα","","0.0291","0.0279","","","0.0599","0.0604","","","","","","1.083","","","","has coordinates","276967","2022-07-27","22:06:25",""
"1567392","11.726","0.002","10.188","0.002","7.6661","0.0016","90","","90","","90","","915.8","0.3","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F5 I O4 Rb2 W -","- F5 I O4 Rb2 W -","- F20 I4 O16 Rb8 W4 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi","Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering","Chemical Science","2022","","","","","10.1039/D2SC02137D","","","0.71073","MoKα","","0.0774","0.0773","","","0.1834","0.1834","","","","","","1.02","","","","has coordinates","276967","2022-07-27","22:06:25",""
"1568299","7.1992","0.0017","17.607","0.005","6.177","0.0014","90","","90","","90","","783","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 N Ni -","- C4 H8 Cl3 N Ni -","- C16 H32 Cl12 N4 Ni4 -","4","0.5","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0399","0.0337","","","0.0587","0.0607","","","","","","1.081","","","","has coordinates","281380","2023-03-04","17:59:56",""
"1568785","19.9823","0.0006","13.8784","0.0005","29.3863","0.0009","90","","90","","90","","8149.5","0.5","120","","120","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C220 H196 Cl12 Dy4 N24 O24 S16 Se80 -","4","0.5","","Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro","A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex","Magnetochemistry","2023","9","3","77","","10.3390/magnetochemistry9030077","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.087","0.0964","","","","","","1.029","","","","has coordinates","282352","2023-04-04","21:09:59",""
"1569599","9.8887","0.0005","16.6064","0.0006","10.7989","0.0004","90","","90","","90","","1773.35","0.13","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C22 Cd2 N8 S6 -","- C22 Cd2 N8 S6 -","- C44 Cd4 N16 S12 -","2","0.25","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.0332","0.0314","","","0.0866","0.0882","","","","","","1.094","","","","has coordinates","286072","2023-09-05","19:22:12",""
"2000185","8.8723","0.0012","5.4921","0.0004","4.8495","0.0006","90","","90","","90","","236.3","0.05","","","","","","","","","","","","3","C m c 21","C 2c -2","","","","","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0210","Sjöberg, J.; Helgesson, G.; Idrestedt, I.","Refinement of the structure of Si~2~N~2~O","Acta Crystallographica Section C","1991","47","11","2438","2441","10.1107/S0108270191006236","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000449","10.548","0.006","19.59","0.011","7.729","0.003","90","","90","","90","","1597.1","1.4","","","","","","","","","","","","4","C m c 21","","","","","","- C18 H20 N2 O3 -","- C20 H24 N4 O6 -","- C80 H96 N16 O24 -","4","0.5","CR0293","Singh, P.; Levine, S. G.; Kasdorf, K.","Structures of 4β-(nitromethyl)-2α,6α-diphenyl-4α-piperidinol and 4β-(nitromethyl)-2β,6β-diphenyl-4α-piperidinol","Acta Crystallographica Section C","1992","48","11","1996","2000","10.1107/S0108270192003482","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000759","11.2191","0.0004","15.9824","0.0005","17.7311","0.0007","90","","90","","90","","3179.3","0.2","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- C32 H46 N4 O8 -","- C32 H48 N4 O8 -","- C128 H192 N16 O32 -","4","0.5","GE0295","Kanters, J. A.; Schouten, A.; Kroon, J.; Grech, E.","Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). IV. Structure of [DMANH]~2~^+^.[squarate]^2{-^} tetrahydrate at 100 K","Acta Crystallographica Section C","1992","48","7","1254","1257","10.1107/S0108270191014348","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002444","5.783","0.001","13.362","0.003","13.033","0.005","90","","90","","90","","1007.1","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Barium iridium titanium oxide (4/1.5/1.6/10)","","- Ba4 Ir1.45 O10 Ti1.55 -","- Ba4 Ir1.45 O10 Ti1.55 -","- Ba16 Ir5.8 O40 Ti6.2 -","4","0.5","","Mueller-Buschbaum, Hk; Neubacher, M","Ein neues Verknuepfungsmuster von Ir3 O12-Oktaedertripeln in Ba4 Ir(3- x) Ti(x) O10 (x= 1.55)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","586","","87","92","10.1002/zaac.19905860112","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002638","6.262","0.001","10.851","0.002","10.171","0.002","90","","90","","90","","691.1","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Dibarium dithulium octazincate","","- Ba2 O13 Tm2 Zn8 -","- Ba2 O13 Tm2 Zn8 -","- Ba4 O26 Tm4 Zn16 -","2","0.25","","Rabbow, Ch; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Erdalkalimetall-Lanthanoid-Oxozinkaten: (I)Ba2 Tm2 Zn8 O13,(II)Ba2 Y2 Zn8 O13,(III)Ba Er2 Zn O5 und (IV)Ba5 Er8 Zn4 O21","Journal of Alloys Compd.","1994","206","","163","167","10.1016/0925-8388(94)90029-9","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002639","6.282","0.001","10.878","0.001","10.195","0.001","90","","90","","90","","696.7","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Dibarium diyttrium octazincate","","- Ba2 O13 Y2 Zn8 -","- Ba2 O13 Y2 Zn8 -","- Ba4 O26 Y4 Zn16 -","2","0.25","","Rabbow, Ch; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Erdalkalimetall-Lanthanoid-Oxozinkaten: (I)Ba2 Tm2 Zn8 O13,(II)Ba2 Y2 Zn8 O13,(III)Ba Er2 Zn O5 und (IV)Ba5 Er8 Zn4 O21","Journal of Alloys Compd.","1994","206","","163","167","10.1016/0925-8388(94)90029-9","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002650","5.823","0.001","10.099","0.001","14.409","0.002","90","","90","","90","","847.3","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Tribarium erbium manganese(IV) manganese(V) oxide","","- Ba3 Er Mn2 O9 -","- Ba3 Er Mn2 O9 -","- Ba12 Er4 Mn8 O36 -","4","0.5","","Rabbow, Ch; Mueller-Buschbaum, Hk","Zur Kenntnis eines Barium-Lanthanoid-Oxomanganats(IV,V): Ba3 Er Mn2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","1277","1281","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002696","6.276","0.002","10.871","0.002","10.195","0.003","90","","90","","90","","695.6","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Dibarium dierbium octazinc oxide","","- Ba2 Er2 O13 Zn8 -","- Ba2 Er2 O13 Zn8 -","- Ba4 Er4 O26 Zn16 -","2","0.25","","Rabbow, Ch; Mueller-Buschbaum, Hk","Zur Kristallchemie eines neuen Barium-Lanthanoid-Oxozinkats: Ba2 Er2 Zn8 O13","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","527","530","10.1002/zaac.19946200323","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002725","5.932","0.002","10.275","0.001","18.01797","0.002","90","","90","","90","","1098.2","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Pentabarium ruthenium(IV) ruthenium(V) nonaoxide chloride","","- Ba5 Cl O9 Ru2 -","- Ba5 Cl O9 Ru2 -","- Ba20 Cl4 O36 Ru8 -","4","0.5","","Rath, M; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp eines Halogenoxoruthenats mit geordneter Ru(IV)- Ru(V)-Verteilung: Ba5 Ru2 O9 Cl","Journal of Alloys Compd.","1994","209","","239","243","10.1016/0925-8388(94)91106-1","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002858","5.735","0.003","13.148","0.004","12.855","0.008","90","","90","","90","","969.3","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Barium ruthenium manganese oxide (4/1.1/1.9/10)","","- Ba4 Mn1.925 O10 Ru1.075 -","- Ba4 Mn1.925 O10 Ru1.075 -","- Ba16 Mn7.7 O40 Ru4.3 -","4","0.5","","Neubacher, M; Mueller-Buschbaum, Hk","Ein neues Oxoruthenat(IV): Ba4 Ru1.1 Mn1.9 O10 mit statistischer Besetzung der M4±Metallpositionen","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1990","121","","635","640","","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003852","16.037","0.003","8.769","0.004","12.804","0.003","90","","90","","90","","1800.6","1","153","","","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- C14 H21 B10 P -","- C14 H21 B10 P -","- C56 H84 B40 P4 -","4","0.5","AB1245","Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-1,2-dicarba-<i>closo</i>-dodecaborane(12) at 153 K","Acta Crystallographica Section C","1995","51","9","1868","1870","10.1107/S0108270195002605","","","0.71073","MoKα","","","0.062","","","0.045","","","","","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004475","9.53","0.01","8.31","0.01","12.39","0.01","90","","90","","90","","981.2","1.8","286","","288","","","","","","","","","5","C m c 21","C 2c -2","36","","trimethylammonium trichlorostannate(IV)","","- C3 H10 Cl3 N Sn -","- C3 H10 Cl3 N Sn -","- C12 H40 Cl12 N4 Sn4 -","4","0.5","BM1018","Halfpenny, J.","Trimethylammonium Trichlorostannate(II)","Acta Crystallographica Section C","1996","52","2","340","342","10.1107/S0108270195009668","","","0.71073","MoKα","","","0.031","","","0.031","","","","","0.906","0.906","","","","","has coordinates","198514","2020-10-21","18:00:00",""
"2006265","40.266","0.014","7.044","0.0013","7.1203","0.0013","90","","90","","90","","2019.6","0.9","294","1","294","1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","0.5","AB1460","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand","Acta Crystallographica Section C","1997","53","7","888","890","10.1107/S0108270197002035","","","0.7107","MoKα","","0.0973","0.052","","0.1436","0.127","","","","0.94","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006489","16.84","0.004","10.859","0.003","10.039","0.002","90","","90","","90","","1835.8","0.8","178","2","178","2","","","","","","","","5","C m c 21","C 2c -2","36","","(Acetonitrilo)(η^5^-1,3-di-t-butylcyclopentadienyl)trichloromolybdenum(IV)","","- C15 H24 Cl3 Mo N -","- C15 H24 Cl3 Mo N -","- C60 H96 Cl12 Mo4 N4 -","4","0.5","FG1323","Scheer, Manfred; Jones, Peter G.","(Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV)","Acta Crystallographica Section C","1997","53","9","1198","1199","10.1107/S0108270197005313","","","0.71073","MoKα","","0.0176","0.0173","","0.0435","0.0433","","","","1.123","1.127","1.127","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006727","22.806","0.007","6.45","0.002","5.813","0.002","90","","90","","90","","855.1","0.5","213","0.2","213","0.2","","","","","","","","3","C m c 21","C 2c -2","36","heptamethylenediamine","1,7-diaminoheptane","","- C7 H18 N2 -","- C7 H18 N2 -","- C28 H72 N8 -","4","0.5","SK1075","Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter","Heptamethylenediamine at 213K","Acta Crystallographica Section C","1997","53","11","1715","1717","10.1107/S0108270197006471","","","1.5418","CuKα,Nifilter","","0.057","0.0493","","0.156","0.1471","","","","1.069","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007516","8.6388","0.0008","12.9233","0.0011","11.13","0.0013","90","","90","","90","","1242.6","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H13 N5 S2 Zn -","- C6 H13 N5 S2 Zn -","- C24 H52 N20 S8 Zn4 -","4","0.5","FG1401","Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua","(Diethylenetriamine)bis(isothiocyanato)zinc(II)","Acta Crystallographica Section C","1998","54","8","1067","1068","10.1107/S0108270198002753","","","0.7107","MoKα","","0.055","0.039","","0.098","0.095","","","","1.071","1.173","1.173","","","","","has coordinates,has disorder,has Fobs","203567","2020-10-21","18:00:00",""
"2007594","13.074","0.002","17.354","0.002","13.794","0.004","90","","90","","90","","3129.7","1.1","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(1,4-dimethyl-1,4,7-triazacyclononanyl)-μ-aqua- μ-acetato-μ-hydroxodicopper(II) perchlorate","","- C18 H44 Cl2 Cu2 N6 O12 -","- C18 H42 Cl2 Cu2 N6 O12 -","- C72 H168 Cl8 Cu8 N24 O48 -","4","0.5","CF1241","Elliot, David J.; Martin, Lisandra L.; Taylor, Max R.","μ-Acetato-μ-aqua-μ-hydroxo-bis[(1,4-dimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)] Diperchlorate","Acta Crystallographica Section C","1998","54","9","1259","1261","10.1107/S0108270198004375","","","0.71073","MoKα","","0.041","0.039","","0.092","0.09","","","","1.705","1.706","1.706","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2008330","8.9928","0.0001","11.2809","0.0002","5.48116","0.00009","90","","90","","90","","556.05","0.02","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","gadolinium gallium oxide","","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","BR1230","Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko","Gd~3~GaO~6~ by X-ray powder diffraction","Acta Crystallographica Section C","1999","55","4","479","481","10.1107/S0108270198016096","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010015","22.874","0.004","10.058","0.003","11.338","0.004","90","","90","","90","","2608.5","1.3","294","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C2 H10 N2 S13 Sb8 -","- C2 N2 S13 Sb8 -","- C8 N8 S52 Sb32 -","4","0.5","BK1004","Tan, K.; Ko, Y.; Parise, J.B.","A novel antimony sulfide templated by ethylenediammonium","Acta Crystallographica Section C","1994","50","9","1439","1442","10.1107/S010827019400154X","","","0.7107","MoKα","","","0.047","","","0.052","","","","","1.75","1.75","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011607","13.908","0.002","15.3513","0.0018","7.186","0.0006","90","","90","","90","","1534.3","0.3","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","sp-9-methyl-9-pivaloylfluorene","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","0.5","GD1104","Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D.","The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene","Acta Crystallographica Section C","2000","56","12","1468","1470","10.1107/S010827010001235X","","","0.71069","MoKα","","0.072","0.043","","","","0.138","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012472","17.643","0.004","14.466","0.002","10.481","0.003","90","","90","","90","","2675","1","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylboroxine","","- C30 H27 B3 Fe3 O3 -","- C30 H27 B3 Fe3 O3 -","- C120 H108 B12 Fe12 O12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.0643","0.0392","","","0.0959","0.108","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012473","17.895","0.003","14.792","0.003","10.4806","0.0018","90","","90","","90","","2774.2","0.9","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","triferrocenylborazine","","- C30 H30 B3 Fe3 N3 -","- C30 H30 B3 Fe3 N3 -","- C120 H120 B12 Fe12 N12 -","4","0.5","AV1093","Bats, Jan W.; Ma, Kuangbiao; Wagner, Matthias","Isomorphism and phase transition in~triferrocenylboroxine and triferrocenylborazine","Acta Crystallographica Section C","2002","58","2","m129","m132","10.1107/S0108270101019679","","","0.71073","MoKα","","0.1097","0.0516","","","0.0919","0.1113","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012977","6.7584","0.0008","20.145","0.004","11.255","0.002","90","","90","","90","","1532.3","0.4","289","2","289","2","","","","","","","","4","C m c 21","C 2c -2","36","","1,4-diazoniabicyclo[2.2.2]octane bis(maleate)","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","0.5","GD1226","Cui, Rong Sun; Zhi, Min Jin","The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds","Acta Crystallographica Section C","2002","58","10","o600","o601","10.1107/S0108270102014956","","","0.71073","MoKα","","0.042","0.033","","","0.074","0.078","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013633","10.825","0.006","18.351","0.01","6.435","0.003","90","","90","","90","","1278.3","1.2","293","2","293","2","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","potassium nitrate","","Niter","- K N O3 -","- K N O3 -","- K16 N16 O48 -","16","2","","Adiwidjaja, Gunadi; Pohl, Dieter","Superstructure of α-phase potassium nitrate","Acta Crystallographica, Section C","2003","59","","i139","i140","10.1107/S0108270103025277","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2013661","36.708","0.004","6.974","0.001","6.03","0.001","90","","90","","90","","1543.7","0.4","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","dimethyl 4,4'-(1,3,4-oxadiazole-2,5-diyl)diphenylenedicarboxylate","","- C18 H14 N2 O5 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","0.5","NA1617","Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit","Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section C","2003","59","11","o634","o635","10.1107/S0108270103021413","","","0.71069","MoKα","","0.0461","0.0338","","","0.0874","0.0887","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013878","17.858","0.0008","10.548","0.0009","9.2364","0.0008","90","","90","","90","","1739.8","0.2","173","1","173","1","","","","","","","","4","C m c 21","C 2c -2","36","2α,4α-dibenzyl-3β-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3β-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","0.5","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0726","0.0497","","","0.0785","0.085","","","","","","1.485","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016026","11.9893","0.0003","17.348","0.0004","8.6266","0.0002","90","","90","","90","","1794.25","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","bis[dicyanidomercury(II)] pyrene solvate","","- C20 H10 Hg2 N4 -","- C20 H10 Hg2 N4 -","- C80 H40 Hg8 N16 -","4","0.5","FA3083","Gervasio, Giuliana; Marabello, Domenica","Mercuric cyanide as a receptor of pyrene","Acta Crystallographica Section C","2007","63","7","m318","m320","10.1107/S0108270107023463","","","0.71073","MoKα","","0.0239","0.0211","","","0.0432","0.044","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016262","6.284","0.0005","6.705","0.0006","12.8302","0.0009","90","","90","","90","","540.59","0.08","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5-Formyluracil","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C20 H16 N8 O12 -","4","0.5","HJ3051","Gustavo Portalone; Marcello Colapietro","An unusual <i>syn</i> conformation of 5-formyluracil stabilized by supramolecular interactions","Acta Crystallographica Section C","2007","63","11","o650","o654","10.1107/S0108270107045659","","","0.71069","MoKα","","0.0436","0.0425","","","0.11","0.1117","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016434","25.786","0.002","10.0852","0.0008","8.2389","0.0007","90","","90","","90","","2142.6","0.3","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","0.5","GG3130","Vladimir N. Nesterov; Lev N. Zakharov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","3,5-Bis{3-[4-(dimethylamino)phenyl]prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxyphenyl)prop-2-enylidene]-1-methyl-4-piperidone: potential biophotonic materials","Acta Crystallographica Section C","2008","64","2","o73","o75","10.1107/S0108270107067741","","","0.71073","MoKα","","0.0551","0.0402","","","0.0889","0.0967","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016623","17.167","0.003","5.843","0.004","8.754","0.003","90","","90","","90","","878.1","0.7","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","Potassium dihydrobis(pyrazol-1-yl)borate","Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)]","","- C6 H8 B K N4 -","- C6 H8 B K N4 -","- C24 H32 B4 K4 N16 -","4","0.5","AV3139","Loroño-Gonzalez, D. J.","Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent","Acta Crystallographica Section C","2008","64","6","m228","m232","10.1107/S0108270108012481","","","0.71073","MoKα","","0.0242","0.0237","","","0.0563","0.0564","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017115","6.8017","0.001","8.158","0.0011","17.438","0.002","90","","90","","90","","967.6","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Methylimidazolium hydrogen succinate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","0.5","SK3296","Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang","A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate","Acta Crystallographica Section C","2009","65","5","o217","o221","10.1107/S0108270109012530","","","0.71073","Mokα","","0.0397","0.0344","","","0.0871","0.0919","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017284","20.3572","0.001","11.3133","0.0005","7.8904","0.0004","90","","90","","90","","1817.22","0.15","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","","- C14 H24 Ag N5 O5 -","- C14 H24 Ag N5 O5 -","- C56 H96 Ag4 N20 O20 -","4","0.5","FG3107","Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]silver(I) nitrate dihydrate","Acta Crystallographica Section C","2009","65","9","m352","m354","10.1107/S0108270109030509","","","0.71073","MoKα","","0.0534","0.0327","","","0.058","0.0638","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018409","20.5281","0.0015","8.1474","0.0003","9.9637","0.0004","90","","90","","90","","1666.44","0.15","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trimethylurea","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C48 H120 N24 O12 -","12","1.5","EG3085","Döring, Cindy; Taouss, Christina; Jones, Peter G.","Trimethylurea","Acta Crystallographica Section C","2012","68","3","o108","o110","10.1107/S0108270112005495","","","0.71073","MoKα","","0.0325","0.0312","","","0.0864","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2100395","21.5289","0.0015","21.9148","0.0016","14.8288","0.0011","90","","90","","90","","6996.3","0.9","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0302","0.0273","","","0.0655","0.0675","","","","","","1.12","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100396","21.4344","0.0015","21.7929","0.0015","14.7782","0.001","90","","90","","90","","6903.2","0.8","165","2","165","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 U -","- C48 H108 O20 P4 Re4 U -","- C192 H432 O80 P16 Re16 U4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0276","0.0252","","","0.0621","0.065","","","","","","1.111","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100399","21.721","0.003","21.738","0.003","14.8793","0.0019","90","","90","","90","","7025.6","1.6","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0398","0.0359","","","0.0745","0.0763","","","","","","1.066","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100400","21.61","0.003","21.623","0.003","14.8324","0.0019","90","","90","","90","","6930.8","1.6","165","2","165","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.026","0.0255","","","0.0535","0.0539","","","","","","1.06","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100401","21.535","0.003","21.548","0.003","14.795","0.0019","90","","90","","90","","6865.4","1.6","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Re4 Th -","- C48 H108 O20 P4 Re4 Th -","- C192 H432 O80 P16 Re16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0268","0.0267","","","0.0593","0.0594","","","","","","1.161","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100403","21.444","0.002","21.582","0.002","14.736","0.002","90","","90","","90","","6819.9","1.3","230","2","230","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","0.5","WS5025","M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton","Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)","Acta Crystallographica Section B","2006","62","1","68","85","10.1107/S0108768105036931","","","0.71073","MoKα","","0.0456","0.0368","","","0.0846","0.0876","","","","","","0.967","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100736","8.894","0.0009","5.4978","0.0006","4.8582","0.0006","90","","90","","90","","237.55","0.05","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- Al0.1 N1.96 O1.1 Si1.9 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0203","Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.","Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40","Acta Crystallographica Section B","1991","47","5","672","678","10.1107/S0108768191004883","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100737","8.8967","0.0008","5.4947","0.0004","4.8581","0.0004","90","","90","","90","","237.49","0.03","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- Al0.16 N1.84 O1.16 Si1.84 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0203","Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.","Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40","Acta Crystallographica Section B","1991","47","5","672","678","10.1107/S0108768191004883","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100738","8.9038","0.0008","5.4997","0.0004","4.8574","0.0004","90","","90","","90","","237.86","0.03","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- Al0.24 N1.76 O1.24 Si1.76 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0203","Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.","Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40","Acta Crystallographica Section B","1991","47","5","672","678","10.1107/S0108768191004883","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100739","8.9161","0.0013","5.4956","0.0007","4.8574","0.0005","90","","90","","90","","238.01","0.05","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- Al0.3 N1.7 O1.3 Si1.7 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0203","Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.","Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40","Acta Crystallographica Section B","1991","47","5","672","678","10.1107/S0108768191004883","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100740","8.9239","0.0008","5.4982","0.0005","4.8599","0.0003","90","","90","","90","","238.45","0.03","","","","","","","","","","","","4","C m c 21","C 2c -2","","","","","- Al0.4 N1.6 O1.4 Si1.6 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","AB0203","Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.","Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40","Acta Crystallographica Section B","1991","47","5","672","678","10.1107/S0108768191004883","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101123","4.992","0.001","7.503","0.003","67.448","0.008","90.02","0.02","90","0.01","89.95","0.03","2526.3","1.2","","","","","","","","","","","","2","C m c 21","C 2c -2","","","","","- C50 H104 -","- C28 H63 -","- C112 H252 -","4","0.5","LI0147","Gerson, A. R.; Nyburg, S. C.","Structures of two binary <i>n</i>-alkane solid solutions","Acta Crystallographica Section B","1994","50","2","252","256","10.1107/S0108768193009504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102510","9.515","0.007","11.909","0.009","13.003","0.01","90","","90","","90","","1473.4","1.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","Dinitro-(1,4,7,10-tetra-azacyclododecane) cobalt(iii) chloride monhydrate","","- C8 H22 Cl Co N6 O5 -","- C8 H22 Cl Co N6 O5 -","- C32 H88 Cl4 Co4 N24 O20 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.0289","0.028","","","0.0877","0.0877","","","","","","1.455","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102515","15.151","0.019","22.13","0.02","6.874","0.005","90","","90","","90","","2305","4","0","","","","","","","","","","","5","C m c 21","C 2c -2","36","","tris(Methyltriethylammonium) bis(dicarbonyl-(4,4',5,5'-tetracyan-2,2'-bi -imidazole-N,N')-iridium) dicyan-(4,4',5,5'-tetracyan-2,2'-bi-imidazole-N,N') -platinum acetonitrile solvate.","","- C21 H18 M N10 O2 -","- C21 H21 N10 O2 Pt -","- C84 H84 N40 O8 Pt4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2102628","12.239","0.002","10.582","0.002","13.582","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C14 H14 N6 O8 -","- C14 H14 N6 O8 -","- C56 H56 N24 O32 -","4","0.5","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0426","0.0368","","0.1193","0.1098","","","","1.146","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102925","8.0839","0.0006","14.5445","0.0006","21.3536","0.0009","90","","90","","90","","2510.7","0.2","295","2","295.15","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Al11 Co6 Si6 -","- Al11 Co6 Si6 -","- Al88 Co48 Si48 -","8","1","SN5051","Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri","Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i>","Acta Crystallographica Section B","2007","63","4","551","560","10.1107/S0108768107029709","","","0.7107","MoKα","","","0.037","","","","0.108","","","","","","1.01","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103117","10.474","0.005","66.24","0.03","6.662","0.003","90","","90","","90","","4622","4","295","1","295","1","","","","","","","","3","C m c 21","C 2c -2","36","","4,4'-dimethyl-2-hydroxy-6-oxo-cyclohexene-1-carboxylic acid","","- C9 H12 O4 -","- C9.0066 H12 O4 -","- C180.132 H240 O80 -","20","2.5","BR0109","Duncan, Laura L.; Patrick, Brian O.; Brock, Carolyn Pratt","Two phases of C~9~H~12~O~4~: why is the structure at 295K so complicated?","Acta Crystallographica, Section B: Structural Science","2002","58","3","502","511","10.1107/S0108768102000630","","","0.71073","MoKα","","0.145","0.07","","","0.156","0.191","","","","","","1.5","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2103179","13.498","","8.834","","31.008","","90","","90","","89.97","","3697.44","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","(Hydrogen-tris(3,5-dimethylpyrazolyl)borate-N,N',N'')- (μ2-carbonato-O,O,O',O'')- di-copper(II)","","- C31 H44 B2 Cu2 N12 O3 -","- C31 H44 B2 Cu2 N12 O3 -","- C124 H176 B8 Cu8 N48 O12 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103415","19.531","","11.459","","8.067","","90","","90","","90","","1805.44","","","","298","","","","","","","","","3","C m c 21","C 2c -2","36","","4-Methyl-2,6-bis(4-methylbenzylidene)cyclohexanone","","- C23 H24 O -","- C23 O -","- C92 O4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103416","21.838","","9.291","","9.647","","90","","90","","90","","1957.35","","","","298","","","","","","","","","4","C m c 21","C 2c -2","36","","2,6-bis(4-dimethylaminobenzylidene)cyclohexanone","","- C24 H28 N2 O -","- C24 N2 O -","- C96 N8 O4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103497","6.187","0.001","5.282","0.003","7.887","0.004","90","","90","","90","","257.7","0.2","206","2","206","2","","","","","","","","3","C m c 21","C 2c -2","36","","acetonitrile","","- C2 H3 N -","- C2 H3 N -","- C8 H12 N4 -","4","0.5","OS0098","Enjalbert, Renée; Galy, Jean","CH~3~CN: X-ray structural investigation of a unique single crystal. β →α phase transition and crystal structure","Acta Crystallographica Section B","2002","58","6","1005","1010","10.1107/S0108768102017603","","","0.71073","MoKα","","0.0891","0.058","","0.1899","","0.1492","","","1.2","","","1.155","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103786","8.068","0.002","13.904","0.004","11.285","0.002","90","","90","","90","","1265.9","0.5","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","Dicarbonyl-(eta$5!-cyclopentadienyl)-(sulfur dioxide)-iron(iii) hexafluoroarsenate","","- C7 H5 As F6 Fe O4 S -","- C7 H5 As F6 Fe O4 S -","- C28 H20 As4 F24 Fe4 O16 S4 -","4","0.5","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0048","0.0046","","","0.0225","0.0239","","","","","","0.146","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103787","21.719","0.002","16.545","0.002","15.97","0.002","90","","90","","90","","5738.7","1.1","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","bis(mu!2$-bis(Diphenylphosphino)methane)-(mu!2$-nitrato)-dipyridyl-di-copper(i) nitrate methanol solvate","","- C61 H58 Cu2 N4 O7 P4 -","- C60 H54 Cu2 N6 O6 P4 -","- C240 H216 Cu8 N24 O24 P16 -","4","0.5","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0115","0.0112","","","0.045","0.0463","","","","","","0.341","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104203","5.9915","0.0003","14.4518","0.0008","7.1999","0.0004","90","","90","","90","","623.42","0.06","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","ammonium pentafluorooxoniobate(V)","ammonium pentafluorooxoniobate(V)","","- F5 H8 N2 Nb O -","- F5.01 N2 Nb O0.99 -","- F20.04 N8 Nb4 O3.96 -","4","0.5","BP5012","Udovenko, Anatoly A.; Laptash, Natalia M.","Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~","Acta Crystallographica Section B","2008","64","5","527","533","10.1107/S0108768108021289","","","0.71073","MoKα","","0.0182","0.0173","","","0.0487","0.0497","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2104448","4.11899","0.00001","14.4626","0.00006","5.81151","0.00003","90","","90","","90","","346.199","0.002","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","powder diffraction","","0.3995","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104449","4.19057","0.00002","14.51281","0.00006","5.83568","0.00003","90","","90","","90","","354.908","0.003","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","powder diffraction","","0.3995","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104451","4.12743","0.00001","14.51455","0.00006","5.82028","0.00003","90","","90","","90","","348.68","0.002","250","","250","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0197","0.0196","","","0.0263","0.0263","","","","","","2.51","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104452","4.12398","0.00002","14.50096","0.00006","5.81748","0.00003","90","","90","","90","","347.895","0.003","200","","200","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0172","0.0171","","","0.027","0.027","","","","","","2.56","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104453","4.12099","0.00001","14.48798","0.00006","5.81496","0.00003","90","","90","","90","","347.181","0.002","150","","150","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.011","0.0108","","","0.0168","0.0169","","","","","","1.58","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104454","4.11886","0.00002","14.4761","0.0001","5.81296","0.00004","90","","90","","90","","346.598","0.004","100","","100","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mg -","- Ba F4 Mg -","- Ba4 F16 Mg4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.012","0.0118","","","0.0168","0.0169","","","","","","1.6","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104455","4.20369","0.00002","14.57275","0.00007","5.84817","0.00003","90","","90","","90","","358.255","0.003","290","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.071","0.0621","","","0.0581","0.059","","","","","","3.54","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104456","4.19684","0.00003","14.55067","0.00011","5.84241","0.00004","90","","90","","90","","356.777","0.004","200","","200","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0648","0.0612","","","0.0688","0.0689","","","","","","4.99","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104457","4.1935","0.00002","14.53894","0.00007","5.83952","0.00003","90","","90","","90","","356.03","0.003","","","150","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0628","0.0593","","","0.0661","0.0663","","","","","","4.18","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104458","4.1911","0.00002","14.52846","0.00008","5.83737","0.00003","90","","90","","90","","355.439","0.003","100","","100","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","Synchrotron","","0.0383","0.0366","","","0.0404","0.0405","","","","","","3.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104459","4.19029","0.00002","14.51842","0.00007","5.83613","0.00003","90","","90","","90","","355.049","0.003","50","","50","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0203","0.0194","","","0.0267","0.0268","","","","","","1.94","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104460","4.19057","0.00002","14.51281","0.000006","5.83568","0.00003","90","","90","","90","","354.912","0.002","10","","10","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Zn -","- Ba F4 Zn -","- Ba4 F16 Zn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.71073","MoKα","","0.0224","0.0219","","","0.0284","0.0285","","","","","","1.87","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104461","4.220243","0.000013","15.1002","0.00005","6.00012","0.00002","90","","90","","90","","382.367","0.002","255","","255","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.0399","0.0396","","","0.0544","0.0545","","","","","","4.54","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104462","4.218739","0.000013","15.0985","0.00005","6.0007","0.00002","90","","90","","90","","382.224","0.002","245","","245","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","SN5085","Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen","Ternary fluorides Ba<i>M</i>F~4~ (<i>M</i> = Zn, Mg and Mn) at low temperatures","Acta Crystallographica Section B","2009","65","5","576","586","10.1107/S0108768109027177","","","0.75","synchrotron","","0.0477","0.0467","","","0.0543","0.0543","","","","","","3.92","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2104808","17.8301","0.0002","7.4833","0.0001","14.8133","0.0005","90","","90","","90","","1976.51","0.08","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","diaqua(15-crown-5)nickel(II) hydrogen sulfate","","- C10 H26 Ni O15 S2 -","- C10 H26 Ni O15 S2 -","- C40 H104 Ni4 O60 S8 -","4","0.5","ZB5013","Siegler, Maxime A.; Stavitski, Eli","On the sequence of three related phases of [Ni(H~2~O)~2~(15-crown-5)](HSO~4~)~2~ in the temperature range 110‒295K","Acta Crystallographica Section B","2010","66","4","430","440","10.1107/S0108768110020410","","","0.71073","MoKα","","0.0253","0.0214","","","0.046","0.0476","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104947","30.803","0.0006","9.6904","0.0002","7.3655","0.0001","90","","90","","90","","2198.55","0.07","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","bis(cinnamic acid).(hexamethylenetetramine)","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0327","0.0311","","","0.0828","0.0844","","","","","","1.072","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106290","10.845","","6.224","","4.918","","90","","90","","90","","331.961","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Na2 Ge O3","","- Ge Na2 O3 -","- Ge Na2 O3 -","- Ge4 Na8 O12 -","4","0.5","","Cruickshank, D.W.J.; Kalman, A.; Stephens, J.S.","A reinvestigation of sodium metagermanate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1333","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106427","7.848","","12.84","","10.785","","90","","90","","90","","1086.79","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K5 Th F9","","- F9 K5 Th -","- F9 K5 Th -","- F36 K20 Th4 -","4","0.5","","Ryan, R.R.; Penneman, R.A.","The Crystal Structure of Potassium Enneafluorothorate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","829","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106522","3.933","","26.726","","5.683","","90","","90","","90","","597.359","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Sr2 (Nb2 O7)","","- Nb2 O7 Sr2 -","- Nb2 O7 Sr2 -","- Nb8 O28 Sr8 -","4","0.5","","Ishizawa, N.; Marumo, F.; Kawamura, T.; Kimura, M.","The crystal structure of Sr2 Nb2 O78, a compound with perovskite-type slabs","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1912","1915","","","","","","","","","","","","","","","","","","","","","","has coordinates","151049","2020-10-21","18:00:00",""
"2106523","3.94","","27.15","","5.692","","90","","90","","90","","608.879","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Sr2 (Ta2 O7)","","- O7 Sr2 Ta2 -","- O7 Sr2 Ta2 -","- O28 Sr8 Ta8 -","4","0.5","","Ishizawa, N.; Marumo, F.; Iwai, S.I.","Compounds with perovskite-type slabs. IV. Ferroelectric phase transitions in Sr2 (Ta(1-X) Nbx)2 O7 (X ca. 0.12) and Sr2 Ta2 O7","Acta Crystallographica B (24,1968-38,1982)","1981","37","","26","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","151050","2020-10-21","18:00:00",""
"2106524","3.961","","27.11","","5.678","","90","","90","","90","","609.719","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Sr2 (Ta0.88 Nb0.12)2 O7","","- Nb0.24 O7 Sr2 Ta1.76 -","- Nb0.24 O7 Sr2 Ta1.76 -","- Nb0.96 O28 Sr8 Ta7.04 -","4","0.5","","Ishizawa, N.; Iwai, S.I.; Marumo, F.","Compounds with Perovskite-Type Slabs. IV. Ferroelectric Phase Transitions in Sr2 (Ta(1-X) Nbx)2 O7 (X ca. 0.12) and Sr2 Ta2 O7","Acta Crystallographica B (24,1968-38,1982)","1981","37","","26","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","151051","2020-10-21","18:00:00",""
"2106536","15.134","","10.49","","7.054","","90","","90","","90","","1119.86","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K3 (Pt (S O3)2 H Cl2)","","- Cl2 H K3 O6 Pt S2 -","- Cl2 H K3 O6 Pt S2 -","- Cl8 H4 K12 O24 Pt4 S8 -","4","0.5","","Kehr, W.G.; Breitinger, D.K.; Bauer, G.","Tripotassium cis-Dichloro(hydrogendisulfito)platinate(II), K3 (Pt (S O3)2 H Cl2). A Case of an Extremely short Hydrogen Bond O..H..O","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2545","2550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106611","11.253","","10.966","","10.29","","90","","90","","90","","1269.79","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ca5 Al6 O14","","- Al6 Ca5 O14 -","- Al6 Ca5 O14 -","- Al24 Ca20 O56 -","4","0.5","","Vincent, M.G.; Jeffery, J.W.","The crystal structure of pentacalcium trialuminate, 5(Ca O) * 3(Al2 O3)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","151842","2020-10-21","18:00:00",""
"2106843","3.915","","7.56","","13.553","","90","","90","","90","","401.134","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Cr I2 -","- Cr I2 -","- Cr4 I8 -","4","0.5","","Besrest, F.; Jaulmes, S.","Structure cristalline de l'iodure de chrome: Cr I2","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1560","1563","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106874","17.28","","9.98","","13.55","","90","","90","","90","","2336.76","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Pb3 Mn7 O15","","- Mn7 O15 Pb3 -","- Mn7 O15 Pb3 -","- Mn56 O120 Pb24 -","8","1","","Darriet, B.; Devalette, M.; Latourrette, B.","Structure cristalline de Pb3 Mn7 O15","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3528","3532","","","","","","","","","","","","","","","","","","","","","","has coordinates","161089","2020-10-21","18:00:00",""
"2107000","10.36","","13.12","","6.4","","90","","90","","90","","869.908","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Er3 Ga S6 -","- Er3 Ga S6 -","- Er12 Ga4 S24 -","4","0.5","","Jaulmes, S.; Laruelle, P.","Structure cristalline du sulfure d'erbium-gallium, Er3 Ga S6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","352","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107324","3.751","","12.471","","34.156","","90","","90","","90","","1597.77","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Cr2 Er6 S11 -","- Cr2 Er6 S11 -","- Cr8 Er24 S44 -","4","0.5","","Tomas, A.; Rigoult, J.; Guittard, M.; Laruelle, P.","Structure de l'undecasulfure de dichrome et d'hexaerbium","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1987","1989","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2108044","3.954","0.002","25.952","0.008","5.607","0.002","90","","90","","90","","575.4","0.4","","","1173","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La2 O7 Ti2 -","- La2 O7 Ti2 -","- La8 O28 Ti8 -","4","0.5","","Ishizawa, N.; Marumo, F.; Iwai, S.; Kimura, M.; Kawamura, T.","Compounds with perovskire-type slabs. V. A high-temperature modification of La2Ti2O7","Acta Crystallographica, Section B","1982","38","","368","372","10.1107/S0567740882002994","","x-ray","0.71069","MoKα","","","0.066","","","","","","","","","","","","","","has coordinates","196665","2020-10-21","18:00:00",""
"2200309","33.805","0.005","7.1247","0.0009","7.2074","0.001","90","","90","","90","","1735.9","0.4","290","2","290","2","","","","","","","","3","C m c 21","C 2c -2","36","","2,6-Bis[1-(phenylimino)ethyl]pyridine","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","0.5","NA6065","Ayfer Mentes; John Fawcett; Raymond D. W. Kemmitt","2,6-Bis[1-(phenylimino)ethyl]pyridine","Acta Crystallographica Section E","2001","57","5","o424","o425","10.1107/S1600536801005943","","","0.71073","MoKα","","0.0645","0.0489","","","","0.1509","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200343","21.585","0.004","11.675","0.003","8.092","0.002","90","","90","","90","","2039.2","0.8","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","0.5","TK6010","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","2,11,18,21,24-Pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonaicosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section E","2001","57","5","o416","o418","10.1107/S1600536801005505","","","0.71069","MoKα","","0.142","0.045","","","","0.107","","","","","","0.981","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2200937","14.349","0.002","9.831","0.002","11.685","0.002","90","","90","","90","","1648.3","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H15 Cl Cu N3 -","- C15 H15 Cl Cu N3 -","- C60 H60 Cl4 Cu4 N12 -","4","0.5","NA6134","Scholz, Stefan; Lerner, Hans-Wolfram; Bolte, Michael","Chlorotripyridinecopper(I)","Acta Crystallographica Section E","2002","58","2","m72","m73","10.1107/S1600536802001630","","","0.71073","MoKα","","0.0697","0.0484","","","0.0693","0.0748","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202153","13.4146","0.0009","6.6414","0.0005","10.0118","0.0006","90","","90","","90","","891.97","0.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C7 H7 N2 O6 -","- C7 H7 N2 O6 -","- C28 H28 N8 O24 -","4","0.5","OM6137","Sema Öztürk; Bülent Büyükkıdan; Ramazan Erenler; Mehmet Akkurt; Osman Çakmak; Hoong-Kun Fun","3,5-Dinitroxytricyclo[2.2.1.0^2,6^]heptane","Acta Crystallographica Section E","2003","59","4","o550","o552","10.1107/S1600536803006524","","","0.71073","MoKα","","0.0523","0.0458","","","0.1082","0.112","","","","","","1.128","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202352","15.0297","0.0009","16.9603","0.001","17.2897","0.0011","90","","90","","90","","4407.3","0.5","160","2","160","2","","","","","","","","7","C m c 21","C 2c -2","36","","trans-(6-amino-2-pyridinio)iodobis(triphenylphosphine)palladium(II) iodide ethyl acetate solvate","","- C45 H44 I2 N2 O2 P2 Pd -","- C45 H44 I2 N2 O2 P2 Pd -","- C180 H176 I8 N8 O8 P8 Pd4 -","4","0.5","BT6322","Clegg, William; Horsburgh, Lynne","<i>trans</i>-(6-Amino-2-pyridinio)iodobis(triphenylphosphine)palladium(II) iodide ethyl acetate solvate","Acta Crystallographica Section E","2003","59","9","m700","m702","10.1107/S1600536803017252","","","0.71073","MoKα","","0.0271","0.0255","","","0.0651","0.0658","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203124","9.6673","0.0011","11.9122","0.0014","5.8846","0.0007","90","","90","","90","","677.66","0.14","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trisodium vanadium oxide trisulfide","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Huang, Fu Qiang; Ibers, James A.","Na~3~VOS~3~","Acta Crystallographica, Section E","2004","60","1","i6","i7","10.1107/S1600536803028939","","","0.71073","MoKα","","0.0172","0.017","","","0.0441","0.0441","","","","","","1.149","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2203311","13.4235","0.0013","12.9358","0.001","8.2935","0.0006","90","","90","","90","","1440.1","0.2","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide","","- C11 H18 Br2 N2 O2 -","- C11 H18 Br2 N2 O2 -","- C44 H72 Br8 N8 O8 -","4","0.5","LH6168","Jonathan D. Crane; Richard P. Bunce","2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide","Acta Crystallographica Section E","2004","60","3","o414","o415","10.1107/S1600536804003563","","","0.71073","MoKα","","0.0613","0.051","","","0.1209","0.1312","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203569","30.554","0.006","8.424","0.0017","7.727","0.0015","90","","90","","90","","1988.8","0.7","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-bis(2-hydroxynaphthalmethenylimino)-1,3-propanediaminato]cobalt(II)","","- C25 H20 Co N2 O2 -","- C25 H20 Co N2 O2 -","- C100 H80 Co4 N8 O8 -","4","0.5","CI6367","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","[<i>N,N</i>'-Bis(2-hydroxynaphthylmethylene)-1,3-propanediaminato]cobalt(II)","Acta Crystallographica Section E","2004","60","5","m654","m656","10.1107/S1600536804009559","","","0.71073","MoKα","","0.0503","0.0421","","","0.0925","0.0958","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204460","30.614","0.006","8.4578","0.0017","7.7462","0.0015","90","","90","","90","","2005.7","0.7","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-Bis(2-oxido-1-naphthylmethylene)propane-1,3-diamine]copper(II)","","- C25 H20 Cu N2 O2 -","- C25 H20 Cu N2 O2 -","- C100 H80 Cu4 N8 O8 -","4","0.5","CI6456","Chen, Guang","[<i>N</i>,<i>N</i>'-Bis(2-oxido-1-naphthylmethylene)propane-1,3-diamine]copper(II)","Acta Crystallographica Section E","2004","60","11","m1550","m1551","10.1107/S1600536804024195","","","0.71073","MoKα","","0.0524","0.0473","","","0.1192","0.1235","","","","","","1.012","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204504","30.601","0.004","8.4526","0.0011","7.7465","0.001","90","","90","","90","","2003.7","0.5","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","{1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II)","","- C25 H20 N2 O2 Zn -","- C25 H20 N2 O2 Zn -","- C100 H80 N8 O8 Zn4 -","4","0.5","HB6099","Wu, Chuan-Bao","{1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II), containing a square-planar ZnO~2~N~2~ group","Acta Crystallographica Section E","2004","60","11","m1580","m1581","10.1107/S1600536804023177","","","0.71073","MoKα","","0.0425","0.0412","","","0.1222","0.124","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204748","11.0671","0.001","14.0481","0.001","14.8625","0.0012","90","","90","","90","","2310.7","0.3","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","Aqua(pyridine N-oxide-κO)[tris(2-hydroxyaminopropyl)amine-κ^4^N]nickel(II) dinitrate","","- C14 H25 N7 Ni O11 -","- C14 H25 N7 Ni O11 -","- C56 H100 N28 Ni4 O44 -","4","0.5","LH6317","Edison, Sara E.; Krause Bauer, Jeanette A.; Baldwin, Michael J.","Aqua(pyridine <i>N</i>-oxide-κ<i>O</i>)[tris(2-hydroxyaminopropyl)amine-κ^4^<i>N</i>]nickel(II) dinitrate","Acta Crystallographica Section E","2004","60","12","m1930","m1932","10.1107/S160053680403003X","","","0.71073","MoKα","","0.0322","0.0299","","","0.0702","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204762","14.4742","0.0007","9.5767","0.0007","11.2075","0.0006","90","","90","","90","","1553.53","0.16","296","1","","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 O P -","- C18 H19 O P -","- C72 H76 O4 P4 -","4","0.5","OB6424","Jian-Ming Gu; Mao-Sheng Xu; Xiu-Rong Hu","1-(Diphenylphosphinoyl)-3,3-dimethylbut-1-yne","Acta Crystallographica Section E","2004","60","12","o2177","o2178","10.1107/S1600536804027217","","","0.7107","MoKα","","","0.036","","","","0.088","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205532","15.121","0.004","8.872","0.002","11.025","0.003","90","","90","","90","","1479","0.7","298","2","298","2","","","","","","","","3","C m c 21","C 2c -2","36","","9-Butyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","0.5","LH6333","Yu-Lin Zhu; Shen-Lin Huang; Yuan-Jiang Pan","9-Butyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2005","61","4","o1139","o1140","10.1107/S1600536805006501","","","0.71073","MoKα","","0.0605","0.0389","","","0.0823","0.0889","","","","","","0.877","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205599","30.514","0.003","8.436","0.002","7.742","0.002","90","","90","","90","","1992.9","0.7","273","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","{1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)","","- C25 H20 Fe N2 O2 -","- C25 H20 Fe N2 O2 -","- C100 H80 Fe4 N8 O8 -","4","0.5","SU6178","Zhao, Bin; Sun, Yu-Xi","{1,1'-[Propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}iron(II)","Acta Crystallographica Section E","2005","61","4","m652","m653","10.1107/S1600536805006409","","","0.71073","MoKα","","0.0494","0.04","","","0.0916","0.0963","","","","","","0.996","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206441","11.355","0.001","17.568","0.002","16.102","0.002","90","","90","","90","","3212.1","0.6","295","2","295","2","","","","","","","","6","C m c 21","C 2c -2","36","","Tetrapyridinium tetrasulfatozirconate(IV) monohydrate","","- C20 H26 N4 O17 S4 Zr -","- C20 H26 N4 O17 S4 Zr -","- C80 H104 N16 O68 S16 Zr4 -","4","0.5","HB6238","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Tetrapyridinium tetrasulfatozirconate(IV) monohydrate","Acta Crystallographica Section E","2005","61","8","m1520","m1522","10.1107/S1600536805021409","","","0.71073","MoKα","","0.075","0.055","","","0.131","0.143","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206543","12.5267","0.0006","17.2768","0.0008","13.8644","0.0007","90","","90","","90","","3000.6","0.3","150","1","150","1","","","","","","","","6","C m c 21","C 2c -2","36","","Tris(ethylenediamine)cobalt(III) nonaiododibismuthate","","- C6 H24 Bi2 Co I9 N6 -","- C6 H24 Bi2 Co I9 N6 -","- C24 H96 Bi8 Co4 I36 N24 -","4","0.5","SJ6094","Goforth, Andrea M.; Hipp, Rachael E.; Smith, Mark D.; Peterson Jr, LeRoy; zur Loye, Hans-Conrad","Tris(ethylenediamine)cobalt(III) nonaiododibismuthate","Acta Crystallographica Section E","2005","61","8","m1531","m1533","10.1107/S1600536805021501","","","0.71073","Mo-Kα","","0.0315","0.0304","","","0.0703","0.0708","","","","","","1.039","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2206839","19.3783","0.0004","10.568","0.0006","7.3257","0.0003","90","","90","","90","","1500.23","0.11","90","0.2","90","0.2","","","","","","","","5","C m c 21","C 2c -2","36","","(2E,4E)-8-Methyl-2,4-bis-thiophen-3-ylmethylene-8-azabicyclo[3.2.1]octan-3-one","","- C18 H17 N O S2 -","- C18 H17 N O S2 -","- C72 H68 N4 O4 S8 -","4","0.5","AC6202","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(2<i>E</i>,4<i>E</i>)-8-Methyl-2,4-bis(3-thienylmethylene)-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2005","61","10","o3445","o3446","10.1107/S160053680503028X","","","0.71073","MoKα","","0.0363","0.0313","","","0.0709","0.0738","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2207159","6.0754","0.0011","14.343","0.003","7.5288","0.0013","90","","90","","90","","656.1","0.2","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","Violuric acid monohydrate","Violuric acid monohydrate","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","0.5","BT6764","Nichol, Gary S.; Clegg, William","Violuric acid monohydrate: a definitive redetermination at 150 K","Acta Crystallographica Section E","2005","61","11","o3788","o3790","10.1107/S160053680503343X","","","0.71073","MoKα","","0.0294","0.0282","","","0.0826","0.0849","","","","","","1.103","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207319","32.673","0.004","11.7393","0.0016","23.932","0.003","90","","90","","90","","9179","2","93.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","Diaquabis(3,5-di-tert-butyl-2-hydroxybenzoato-κO^1^) zinc(II) dimethylacetamide trisolvate","","- C42 H73 N3 O11 Zn -","- C42 H70 N3 O11 Zn -","- C336 H560 N24 O88 Zn8 -","8","1","OB6576","Makino, Takashi; Mizuguchi, Jin","Diaquabis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II) dimethylacetamide trisolvate","Acta Crystallographica Section E","2005","61","11","m2220","m2222","10.1107/S1600536805029119","","","1.54187","CuKα","","0.0627","0.0537","","","0.1449","0.1488","","","","","","0.955","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208331","19.116","0.004","8.0147","0.0013","10.0475","0.0017","90","","90","","90","","1539.4","0.5","500","2","500","2","","","","","","","","5","C m c 21","C 2c -2","36","","dirubidium tricadmium tris(sulfate) dihydroxide dihydrate","","- Cd3 H6 O16 Rb2 S3 -","- Cd3 H6 O16 Rb2 S3 -","- Cd12 H24 O64 Rb8 S12 -","4","0.5","HB6312","Swain, Diptikanta; Guru Row, T. N.","Rb~2~Cd~3~(SO~4~)~3~(OH)~2~·2H~2~O: structural stability at 500K","Acta Crystallographica Section E","2006","62","3","i74","i76","10.1107/S1600536806006489","","","0.71073","MoKα","","0.0583","0.058","","","0.1371","0.1376","","","","","","1.177","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208468","23.307","0.012","9.841","0.004","9.211","0.004","90","","90","","90","","2112.7","1.7","295","2","295","2","","","","","","","","3","C m c 21","C 2c -2","36","","2',7'-Bis(4-methoxyphenyl)-spiro[cyclopropane-1,9'-9H-fluorene]","","- C29 H24 O2 -","- C29 H24 O2 -","- C116 H96 O8 -","4","0.5","XU6115","Wang, Zi-Xing; Lin, Hai-Yao; Lu, Ping","2',7'-Bis(4-methoxyphenyl)spiro[cyclopropane-1,9'-9<i>H</i>-fluorene]","Acta Crystallographica Section E","2006","62","3","o1084","o1085","10.1107/S1600536806005150","","","0.71073","MoKα","","0.05","0.041","","","0.113","0.119","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208726","30.65","0.001","8.464","0.003","7.769","0.001","90","","90","","90","","2015.4","0.8","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-Bis(2-oxido-1-naphthylmethylidene)propane-1,3-diamine]manganese(II)","","- C25 H20 Mn N2 O2 -","- C25 H20 Mn N2 O2 -","- C100 H80 Mn4 N8 O8 -","4","0.5","SJ2020","Yu-Liang Zhang","[<i>N</i>,<i>N</i>'-Bis(2-oxido-1-naphthylmethylidene)propane-1,3-diamine]manganese(II)","Acta Crystallographica Section E","2006","62","4","m900","m901","10.1107/S1600536806009809","","","0.71073","MoKα","","0.061","0.0459","","","0.1116","0.1215","","","","","","0.973","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209026","29.875","0.006","6.027","0.0012","7.256","0.0015","90","","90","","90","","1306.5","0.5","296","1","296","1","","","","","","","","3","C m c 21","C 2c -2","36","","2,7-diacetylxanthene","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","0.5","WK2007","Li, Wu; Ai-Lin, Liu; Yang, Lu; Guan-Hua, Du","2,7-Diacetylxanthene","Acta Crystallographica Section E","2006","62","5","o1770","o1771","10.1107/S1600536806012050","","","0.71073","MoKα","","0.0499","0.0479","","","0.1258","0.1281","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209101","19.733","0.004","13.083","0.003","9.643","0.0019","90","","90","","90","","2489.5","0.9","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","ZnCl4(paraphenylenediamine)","p-Phenylenediammonium tetrachlorozinc","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C48 H80 Cl32 N16 Zn8 -","8","1","BT2074","Bringley, Joseph F.; Rajeswaran, Manju","<i>p</i>-Phenylenediammonium tetrachlorozincate(II)","Acta Crystallographica Section E","2006","62","6","m1304","m1305","10.1107/S1600536806016837","","","0.71073","MoKα","","0.0343","0.0312","","","0.0772","0.0792","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2213156","16.827","0.003","12.3","0.002","6.9898","0.0014","90","","90","","90","","1446.7","0.5","210","2","210","","","","","","","","","5","C m c 21","C 2c -2","36","","2,4,6-triamino-1,3,5-triazin-1-ium chloride hemihydrate","","- C3 H8 Cl N6 O0.5 -","- C3 H8 Cl N6 O0.5 -","- C24 H64 Cl8 N48 O4 -","8","1","BT2307","Athikomrattanakul, Umporn; Promptmas, Chamras; Katterle, Martin; Schilde, Uwe","An orthorhombic polymorph of melaminium chloride hemihydrate","Acta Crystallographica Section E","2007","63","5","o2154","o2156","10.1107/S1600536807014791","","","0.71073","MoKα","","0.037","0.0299","","","0.0611","0.0632","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215051","5.9505","0.0017","20.478","0.006","8.475","0.002","90","","90","","90","","1032.7","0.5","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","(1,3-Propanediamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)\ copper(II)","","- C5 H10 Cu N4 S2 -","- C5 H10 Cu N4 S2 -","- C20 H40 Cu4 N16 S8 -","4","0.5","CI2424","Zhong-Lu You; Seik Weng Ng","(1,3-Propanediamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2007","63","9","m2347","m2347","10.1107/S1600536807039645","","","0.71073","MoKα","","0.0236","0.0231","","","0.0653","0.0657","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215468","3.9794","0.0002","15.9296","0.001","10.9957","0.0006","90","","90","","90","","697.02","0.07","150","1","150","1","","","","","","","","3","C m c 21","C 2c -2","36","","Zirconium germanium tetratelluride","","- Ge Te4 Zr -","- Ge Te4 Zr -","- Ge4 Te16 Zr4 -","4","0.5","FI2044","Chang-Ho Lee; Gyung-Joo Jang; Hoseop Yun","Stoichiometric ZrGeTe~4~","Acta Crystallographica Section E","2007","63","10","i183","i183","10.1107/S1600536807045862","","","0.71073","MoKα","","","0.0361","","","","0.0803","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2215908","41.236","0.0016","10.111","0.0008","8.693","0.0006","90","","90","","90","","3624.4","0.4","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","9-(Methoxymethyl)anthracene","","- C16 H14 O -","- C16 H14 O -","- C192 H168 O12 -","12","1.5","FJ2058","Jie Liu; Guo-Hua Wei; Guang-Ju Ping; Jian-Fang Ma","9-(Methoxymethyl)anthracene","Acta Crystallographica Section E","2007","63","11","o4442","o4442","10.1107/S1600536807052324","","","0.71073","MoKα","","0.0551","0.0372","","","0.0865","0.1023","","","","","","1.084","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216331","11.6721","0.0015","10.5156","0.0012","9.6565","0.0012","90","","90","","90","","1185.2","0.3","113","2","113","2","","","","","","","","4","C m c 21","C 2c -2","36","","4-Hydroxy-2,2,6,6-tetramethylpiperidinium nitrate","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","0.5","BT2639","Shou-Cheng Pu; Wen-Yuan Gao; Yi Deng; Chun-Ling Tu","4-Hydroxy-2,2,6,6-tetramethylpiperidinium nitrate","Acta Crystallographica Section E","2007","63","12","o4896","o4896","10.1107/S1600536807061612","","","0.7107","MoKα","","0.0524","0.0473","","","0.1117","0.115","","","","","","1.109","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217242","3.7822","0.0008","23.62","0.005","21.271","0.004","90","","90","","90","","1900.3","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","Dysprosium tin sulfide oxide","","- Dy8 O0.39 S13.61 Sn -","- Dy8 O0.39 S13.61 Sn -","- Dy32 O1.56 S54.44 Sn4 -","4","0.5","PK2066","Daszkiewicz, M.; Gulay, L. D.; Shemet, V. Ya.; Pietraszko, A.","Dy~8~SnS~13.61~O~0.39~ from single-crystal data","Acta Crystallographica Section E","2008","64","1","i2","i2","10.1107/S1600536807063416","","","0.71073","MoKα","","0.0349","0.0256","","","0.0364","0.0383","","","","","","0.888","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217320","13.6227","0.0016","20.591","0.003","15.148","0.002","90","","90","","90","","4249.1","1","298","2","298","2","","","","","","","","8","C m c 21","C 2c -2","36","","catena-Poly[[nickel(II)-μ~3~-1,1-dicyanothene-2,2-dithiolato-κ^4^S,S':N:N'- bis[(15-crown-5)magnesium(II)]-μ~3~-1,1-dicyanoethene-2,2-dithiolato- κ^4^N:N':S,S'] dichloride]","","- C28 H40 Cl2 Mg2 N4 Ni O10 S4 -","- C28 H40 Cl2 Mg2 N4 Ni O10 S4 -","- C112 H160 Cl8 Mg8 N16 Ni4 O40 S16 -","4","0.5","SQ2001","Junli Yang; Chengjuan Li; Dacheng Li; Daqi Wang","<i>catena</i>-Poly[[nickel(II)-μ~3~-1,1-dicyanoethene-2,2-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>N</i>:<i>N</i>'-bis[(15-crown-5)magnesium(II)]-μ~3~-1,1-dicyanoethene-2,2-dithiolato-κ^4^<i>N</i>:<i>N</i>':<i>S</i>,<i>S</i>'] dichloride]","Acta Crystallographica Section E","2008","64","1","m174","m174","10.1107/S1600536807065622","","","0.71073","MoKα","","0.0799","0.0645","","","0.1649","0.1923","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218023","12.9873","0.0007","11.081","0.0008","8.8368","0.0008","90","","90","","90","","1271.72","0.16","296","1","","","","","","","","","","3","C m c 21","C 2c -2","36","","9,10-Dimethyl-9,10-peroxy-9,10-dihydroanthracene","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","WW2092","Wang, Yun-Wu","9,10-Dimethyl-9,10-peroxy-9,10-dihydroanthracene","Acta Crystallographica Section E","2008","64","4","o660","","10.1107/S1600536807068456","","","0.71069","MoKα","","","0.0421","","","","0.1067","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218111","17.6252","0.0007","6.8868","0.0003","17.0447","0.0007","90","","90","","90","","2068.91","0.15","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","Hydroxonium triaquabis(biuret-κ^2^<i>O</i>,<i>O</i>')dichloridolanthanum(III) dichloride dihydrate","","- C4 H23 Cl4 La N6 O10 -","- C4 H23 Cl4 La N6 O10 -","- C16 H92 Cl16 La4 N24 O40 -","4","0.5","FJ2113","Harrison, William T. A.","Hydroxonium triaquabis(biuret-κ^2^<i>O</i>,<i>O</i>')dichloridolanthanum(III) dichloride dihydrate","Acta Crystallographica Section E","2008","64","5","m681","m682","10.1107/S1600536808010349","","","0.71073","MoKα","","0.0168","0.0163","","","0.0414","0.0416","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218123","3.97951","0.00017","15.953","0.0007","10.9731","0.0007","90","","90","","90","","696.63","0.06","290","1","290","1","","","","","","","","3","C m c 21","C 2c -2","36","","hafnium germanium telluride, HfGeTe~4~","","- Ge Hf Te4 -","- Ge Hf Te4 -","- Ge4 Hf4 Te16 -","4","0.5","GW2040","Jang, Gyung-Joo; Yun, Hoseop","Hafnium germanium telluride","Acta Crystallographica Section E","2008","64","5","i27","","10.1107/S1600536808011380","","","0.71073","MoKα","","0.0246","0.0233","","","0.0532","0.054","","","","","","0.973","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218263","18.383","0.0002","10.2801","0.0001","8.1762","0.0001","90","","90","","90","","1545.13","0.03","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[[cyclohexyldiphenyltin(IV)]-μ-hydroxido- κ^2^<i>O</i>:<i>O</i>]","","- C18 H22 O Sn -","- C18 H22 O Sn -","- C72 H88 O4 Sn4 -","4","0.5","TK2257","Lo, Kong Mun; Ng, Seik Weng","<i>catena</i>-Poly[[cyclohexyldiphenyltin(IV)]-μ-hydroxido-κ^2^<i>O</i>:<i>O</i>]","Acta Crystallographica Section E","2008","64","5","m724","m725","10.1107/S1600536808011100","","","0.71073","MoKα","","0.02","0.017","","","0.05","0.071","","","","","","1.28","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219761","24.2516","0.0006","10.8459","0.0003","7.527","0.0002","90","","90","","90","","1979.83","0.09","298","2","298","2","","","","","","","","3","C m c 21","C 2c -2","36","","(2<i>E</i>,6<i>E</i>)-2,6-Bis(4-ethoxybenzylidene)cyclohexanone","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","0.5","BG2205","Shi, Xiaopeng; Li, Shuqin; Liu, Zhenzhen","(2<i>E</i>,6<i>E</i>)-2,6-Bis(4-ethoxybenzylidene)cyclohexanone","Acta Crystallographica Section E","2008","64","11","o2199","","10.1107/S1600536808034272","","","0.71073","MoKα","","0.0557","0.0483","","","0.1106","0.1148","","","","","","1.048","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221288","59.344","0.013","7.484","0.003","5.988","0.002","90","","90","","90","","2659.5","1.5","163","2","163","2","","","","","","","","4","C m c 21","C 2c -2","36","","<i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)-4,4'-(<i>m</i>- phenylenedioxy)dianiline","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","BT2885","Nadeem, Said; Shah, Muhammad Raza; VanDerveer, Donald","<i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)-4,4'-(<i>m</i>-phenylenedioxy)dianiline","Acta Crystallographica Section E","2009","65","4","o897","","10.1107/S1600536809010939","","","0.71073","MoKα","","0.0614","0.0522","","","0.1307","0.1421","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222874","12.5767","0.0013","8.6788","0.0008","8.4338","0.0009","90","","90","","90","","920.55","0.16","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Iodo-1,3-dimethoxybenzene","","- C8 H9 I O2 -","- C8 H9 I O2 -","- C32 H36 I4 O8 -","4","0.5","SI2185","Xue, Li-Ping; Qin, Jian-Hua","2-Iodo-1,3-dimethoxybenzene","Acta Crystallographica Section E","2009","65","8","o1790","","10.1107/S1600536809025264","","","0.71073","MoKα","","0.019","0.0186","","","0.0459","0.0461","","","","","","1.121","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223947","12.9","0.005","9.442","0.004","12.888","0.005","90","","90","","90","","1569.8","1.1","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiocyanato- κ<i>N</i>)copper(II) chloride","","- C13 H12 Cl Cu N9 S -","- C13 H12 Cl Cu N9 S -","- C52 H48 Cl4 Cu4 N36 S4 -","4","0.5","NG2677","Ma, Qi; Meng, Shuang-Ming; Feng, Feng; Lu, Li-Ping; Zhu, Miao-Li","Bis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(thiocyanato-κ<i>N</i>)copper(II) chloride","Acta Crystallographica Section E","2009","65","11","m1488","m1489","10.1107/S1600536809044717","","","0.71073","MoKα","","0.0504","0.0467","","","0.0891","0.0955","","","","","","1.198","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225086","7.11","0.0003","11.8085","0.0005","11.7702","0.0005","90","","90","","90","","988.21","0.07","193","2","193","2","","","","","","","","4","C m c 21","C 2c -2","36","","1-Bromomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide","","- C7 H14 Br2 N2 -","- C7 H14 Br2 N2 -","- C28 H56 Br8 N8 -","4","0.5","PK2223","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","1-Bromomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide","Acta Crystallographica Section E","2010","66","2","o377","","10.1107/S1600536810000292","","","0.71073","MoKα","","0.0238","0.0221","","","0.0509","0.0515","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225229","32.072","0.002","7.6053","0.0005","6.8224","0.0005","90","","90","","90","","1664.1","0.19","228","2","228","2","","","","","","","","3","C m c 21","C 2c -2","36","1,3-bis(phenylthiomethyl)benzene","1,3-Bis(phenylsufanylmethyl)benzene","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","0.5","FB2176","Stewart, Constantine A.; Dickie, Diane A.; Kemp, Richard A.","1,3-Bis(phenylsufanylmethyl)benzene","Acta Crystallographica Section E","2010","66","3","o677","o678","10.1107/S1600536810005775","","","0.71073","MoKα","","0.0504","0.0345","","","0.0763","0.0856","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227753","34.296","0.01","7.401","0.002","6.623","0.002","90","","90","","90","","1681.1","0.8","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","Dimethyl 4,4'-(pyridine-2,6-diyl)dibenzoate","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","0.5","KP2283","Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo","Dimethyl 4,4'-(pyridine-2,6-diyl)dibenzoate","Acta Crystallographica Section E","2010","66","11","o2975","","10.1107/S160053681004362X","","","0.71073","MoKα","","0.0395","0.0374","","","0.1062","0.1085","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230167","18.906","0.003","7.9483","0.0011","9.9809","0.0013","90","","90","","90","","1499.8","0.4","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","Diammonium tricadmium tris(sulfate) dihydroxide dihydrate","","- Cd3 H14 N2 O16 S3 -","- Cd3 H14 N2 O16 S3 -","- Cd12 H56 N8 O64 S12 -","4","0.5","WM2470","Yin, Xin","Diammonium tricadmium tris(sulfate) dihydroxide dihydrate","Acta Crystallographica Section E","2011","67","5","i31","","10.1107/S1600536811012979","","","0.71073","MoKα","","0.0278","0.0274","","","0.0654","0.0656","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232710","15.501","0.003","10.8569","0.0017","8.1579","0.0013","90","","90","","90","","1372.9","0.4","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","AT24","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide","","- C14 H18 N3 O P -","- C14 H18 N3 O P -","- C56 H72 N12 O4 P4 -","4","0.5","HB6483","Pourayoubi, Mehrdad; Yousefi, Mohammad; Eslami, Farnaz; Rheingold, Arnold L.; Chen, Chao","<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide","Acta Crystallographica Section E","2011","67","12","o3220","","10.1107/S1600536811046058","","","0.71073","MoKα","","0.0297","0.0284","","","0.0816","0.0835","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234060","14.7568","0.0006","15.4378","0.0006","10.6383","0.0005","90","","90","","90","","2423.54","0.18","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒ 1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","","- C15 H28 Cd N4 O6 S3 -","- C15 H28 Cd N4 O6 S3 -","- C60 H112 Cd4 N16 O24 S12 -","4","0.5","ZB2021","Ramesh, V.; Rajarajan, K.; Kumar, K. Sendil; Subashini, A.; NizamMohideen, M.","<i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","Acta Crystallographica Section E","2012","68","3","m335","m336","10.1107/S1600536812004898","","","0.71073","MoKα","","0.0137","0.0133","","","0.034","0.0344","","","","","","1.093","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235281","10.301","0.003","15.461","0.004","23.384","0.006","90","","90","","90","","3724.2","1.7","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","heptasodium tridecamagnesium neodymium dodecakisphosphate","","- Mg13 Na7 Nd O48 P12 -","- Mg13 Na7 Nd O48 P12 -","- Mg52 Na28 Nd4 O192 P48 -","4","0.5","WM2593","Jerbi, Hasna; Hidouri, Mourad; Mongi, Ben Amara","Na~7~Mg~13~Nd(PO~4~)~12~","Acta Crystallographica Section E","2012","68","6","i44","","10.1107/S1600536812017850","","","0.71069","MoKα","","0.1149","0.0568","","","0.0883","0.1074","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236148","14.717","0.006","10.631","0.004","7.375","0.003","90","","90","","90","","1153.9","0.8","93","2","93","2","","","","","","","","4","C m c 21","C 2c -2","36","","10-(Prop-1-yn-1-yl)-10<i>H</i>-phenothiazine","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","0.5","BX2425","Umezono, Satoru; Okuno, Tsunehisa","10-(Prop-1-yn-1-yl)-10<i>H</i>-phenothiazine","Acta Crystallographica Section E","2012","68","9","o2790","","10.1107/S1600536812036537","","","0.71075","MoKα","","0.0261","0.0252","","","0.0637","0.0645","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237095","6.6807","0.0017","10.4409","0.0017","9.9707","0.0019","90","","90","","90","","695.5","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","3,3-Dinitroazetidinium chloride","","- C3 H6 Cl N3 O4 -","- C3 H6 Cl N3 O4 -","- C12 H24 Cl4 N12 O16 -","4","0.5","ZQ2187","Yan, Biao; Li, Hong-Ya; Zhao, Ning-Ning; Li, Jie; Ma, Hai-Xia","3,3-Dinitroazetidinium chloride","Acta Crystallographica Section E","2012","68","12","o3376","","10.1107/S1600536812046302","","","0.71073","MoKα","","0.0212","0.021","","","0.0547","0.0549","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237516","14.046","0.005","9.607","0.005","5.903","0.003","90","","90","","90","","796.6","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Nitro-1,3-dinitrooxypropane","","- C3 H5 N3 O8 -","- C3 H5 N3 O8 -","- C12 H20 N12 O32 -","4","0.5","LD2094","Breiner, Megan M.; Chavez, David E.; Parrish, Damon A.","2-Nitro-1,3-dinitrooxypropane","Acta Crystallographica Section E","2013","69","3","o384","","10.1107/S1600536813004170","","","0.71073","MoKα","","0.0676","0.0377","","","0.0716","0.0828","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238837","13.8803","0.0006","8.3195","0.0005","15.9035","0.0007","90","","90","","90","","1836.49","0.16","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III)","","- C16 H19 Mn N2 O4 S -","- C16 H19 Mn N2 O4 S -","- C64 H76 Mn4 N8 O16 S4 -","4","0.5","BT6942","Suckert, Stefan; Jess, Inke; Näther, Christian","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III): a redetermination using data from a single crystal","Acta Crystallographica Section E","2013","69","12","m657","","10.1107/S1600536813030407","","","0.71073","MoKα","","0.0346","0.0302","","","0.064","0.066","","","","","","1.044","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2240681","6.406","0.0017","14.96","0.006","10.867","0.003","90","","90","","90","","1041.4","0.6","294","2","294","2","","","","","","","","4","C m c 21","C 2c -2","36","","2,4-Diamino-7-(hydroxymethyl)pteridin-1-ium nitrate","","- C7 H9 N7 O4 -","- C7 H9 N7 O4 -","- C28 H36 N28 O16 -","4","0.5","SU5127","Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri; Jeevaraj, Muthaiah; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","Crystal structure of 2,4-diamino-7-(hydroxymethyl)pteridin-1-ium nitrate","Acta Crystallographica Section E","2015","71","6","o376","o377","10.1107/S2056989015008397","","","0.71073","MoKα","","0.0403","0.0303","","","0.0679","0.0738","","","","","","1.032","","","","has coordinates,has Fobs","136463","2020-10-21","18:00:00",""
"2240906","25.531","0.002","9.5351","0.0008","6.933","0.0004","90","","90","","90","","1687.8","0.2","200","","200","","","","","","","","","5","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[calcium-di-μ~3~-benzoato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>-μ~2~-(dimethyl sulfoxide)-κ^2^<i>O</i>:<i>O</i>]","","- C16 H16 Ca O5 S -","- C16 H16 Ca O5 S -","- C64 H64 Ca4 O20 S4 -","4","0.5","ZS2334","Voronova, Anna S.; Petrusenko, Svitlana R.; Goreshnik, Evgeny","Crystal structure of <i>catena-</i>poly[calcium-di-μ~3~-benzoato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>-μ~2~-(dimethyl sulfoxide)-κ^2^<i>O</i>:<i>O</i>]","Acta Crystallographica Section E","2015","71","8","906","909","10.1107/S2056989015012487","","","0.71069","MoKα","","0.0525","0.0444","","","0.0939","0.103","","","","","","1.131","","","","has coordinates,has Fobs","140990","2020-10-21","18:00:00",""
"2242027","24.3426","0.0018","10.4266","0.0007","7.8315","0.0006","90","","90","","90","","1987.7","0.3","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","potassium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dipotassium]","","- C6 H10 As K N O4.5 -","- C6 H10 As K N O4.5 -","- C48 H80 As8 K8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0364","0.0303","","","0.0878","0.1254","","","","","","1.231","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242028","24.4783","0.0019","10.4577","0.0009","8.0978","0.0007","90","","90","","90","","2072.9","0.3","200","1","200","1","","","","","","","","6","C m c 21","C 2c -2","36","rubidium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dirubidium]","","- C6 H10 As N O4.5 Rb -","- C6 H10 As N O4.5 Rb -","- C48 H80 As8 N8 O36 Rb8 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0371","0.032","","","0.07","0.0723","","","","","","1.026","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242029","24.65","0.003","10.4373","0.0009","8.3992","0.0007","90","","90","","90","","2160.9","0.4","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","caesium <i>p</i>-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dicaesium]","","- C6 H10 As Cs N O4.5 -","- C6 H10 As Cs N O4.5 -","- C48 H80 As8 Cs8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0467","0.0405","","","0.126","0.1597","","","","","","1.183","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242297","9.1532","0.0006","8.7029","0.0008","8.7336","0.0005","90","","90","","90","","695.71","0.09","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","7-Azabicyclo[2.2.1]heptane hydrochloride","7-Azabicyclo[2.2.1]heptan-7-ium chloride","","- C6 H12 Cl N -","- C6 H12 Cl N -","- C24 H48 Cl4 N4 -","4","0.5","ZL2713","Britvin, Sergey N.; Rumyantsev, Andrey M.","The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride","Acta Crystallographica Section E","2017","73","9","1385","1388","10.1107/S2056989017012105","","","0.71073","MoKα","","0.0177","0.0174","","","0.0474","0.0476","","","","","","1.152","","","","has coordinates,has Fobs","200061","2020-10-21","18:00:00",""
"2243711","17.8228","0.0019","7.4879","0.0008","9.7686","0.001","90","","90","","90","","1303.7","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","Dipotassium trimagnesium dihydroxide tris(sulfate) dihydrate","","- H6 K2 Mg3 O16 S3 -","- H6 K2 Mg3 O16 S3 -","- H24 K8 Mg12 O64 S12 -","4","0.5","HB7955","Weil, Matthias","Redetermination of K~2~Mg~3~(OH)~2~(SO~4~)~3~(H~2~O)~2~ from single-crystal X-ray data revealing the correct hydrogen-atom positions","Acta Crystallographica Section E","2021","77","1","62","65","10.1107/S2056989020016217","","","0.71073","MoKα","","0.0184","0.0165","","","0.0387","0.0393","","","","","","1.072","","","","has coordinates,has Fobs","260017","2020-12-19","06:44:22",""
"2300383","11.22205","0.00006","34.8174","0.0002","11.22569","0.00007","90","","90","","90","","4386.13","0.04","300","","300","","","","","","","","","3","C m c 21","C 2c -2","36","yttrium_mono_metallofullerene","Endohedral metallofullerene","","- C356 H32 Y4 -","- C264 H32 Y4 -","- C264 H32 Y4 -","1","0.125","HE5595","Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori","Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data","Journal of Applied Crystallography","2013","46","3","649","655","10.1107/S002188981300592X","powder diffraction","","0.7333","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2300529","8.847","","5.452","","4.824","","90","","90","","90","","232.68","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Si2 N2 O","","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Srinivasa, S.R.; Jorgensen, J.D.; Cartz, L.; Worlton, T.G.; Beyerlein, R.A.; Billy, M.","High-pressure neutron diffraction study of Si2 N2 O","Journal of Applied Crystallography","1977","10","","167","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310023","4.08","","11.48","","4.65","","90","","90","","90","","217.799","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Ag Ca -","- Ag Ca -","- Ag4 Ca4 -","4","0.5","","Dunsmore, R.S.; Calvert, L.D.; Tse, R.S.; Kuhi, L.V.","The crystal structure of Ag Ca and Ag2 Ca","Acta Crystallographica (1,1948-23,1967)","1957","10","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310612","5.76","","8.537","","9.121","","90","","90","","90","","448.508","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Al4 O4 C","","- C Al4 O4 -","- C Al4 O4 -","- C4 Al16 O16 -","4","0.5","","Jeffrey, G.A.; Slaughter, M.","The structure of aluminium tetroxycarbide","Acta Crystallographica (1,1948-23,1967)","1963","16","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310662","9.36","","5.395","","4.675","","90","","90","","90","","236.074","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Li2 (Si O3)","","- Li2 O3 Si -","- Li2 O3 Si -","- Li8 O12 Si4 -","4","0.5","","Seemann, H.","Die Kristallstruktur des Lithiummetasilikates, (Li2 Si O3)x","Acta Crystallographica (1,1948-23,1967)","1956","9","","251","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310858","10.43","","6.02","","4.81","","90","","90","","90","","302.013","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Na2 Si O3","","- Na2 O3 Si -","- Na2 O3 Si -","- Na8 O12 Si4 -","4","0.5","","Grund, A.; Pizy, M.M.","Structure Cristalline du Metasilicate de Sodium Anhydre, Na2 Si O3","Acta Crystallographica (1,1948-23,1967)","1952","5","","837","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311108","23.8174","0.0004","10.9141","0.0002","7.4645","0.0001","90","","90","","90","","1940.36","0.05","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","Dipotassium disulfanilamidate trihydrate","","- C6 H10 K N2 O3.5 S -","- C6 H10 K N2 O3.5 S -","- C48 H80 K8 N16 O28 S8 -","8","1","OM2446","How, Fiona N.-F.; Rahima, Z. A.; Khaledi, Hamid; Mohd Ali, Hapipah","Dipotassium disulfanilamidate trihydrate.","Acta crystallographica. Section E, Structure reports online","2011","67","Pt 8","m1071","","10.1107/S1600536811026791","","","0.71073","MoKα","","0.0154","0.0154","","","0.0421","0.0421","","","","","","1.107","","","","has coordinates","280578","2023-01-25","08:34:37",""
"2311496","19.4627","0.0004","13.8181","0.0004","7.7343","0.0002","90","","90","","90","","2080.04","0.09","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate]","","- C12 H16 Bi Cl5 N6 O2 -","- C12 H16 Bi Cl5 N6 O2 -","- C48 H64 Bi4 Cl20 N24 O8 -","4","0.5","","Boukoum, Chaima; Aloui, Zouhaier; Ferretti, Valeria; Abid, Sonia","Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bis-muthate(III) halide complex, (C<sub>6</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[BiCl<sub>5</sub>]·2H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1759","1763","10.1107/S2056989017015134","","","0.71073","MoKα","","0.0384","0.038","","","0.0953","0.0955","","","","","","1.111","","","","has coordinates","245931","2020-10-21","18:00:00",""
"2311567","35.297","0.003","9.3902","0.0006","8.3603","0.0005","90","","90","","90","","2771","0.3","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","","2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","","Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine","Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","682","686","10.1107/S2056989018005832","","","0.71073","MoKα","","0.0857","0.0527","","","0.1367","0.1582","","","","","","1.015","","","","has coordinates","245989","2020-10-21","18:00:00",""
"2312030","19.46","","5.243","","5.239","","90","","90","","90","","534.529","","","","302","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3.044 Mn2.038 O6.486 -","- Ca12.176 Mn8.152 O25.944 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312031","19.435","","5.258","","5.247","","90","","90","","90","","536.187","","","","373","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312032","19.425","","5.278","","5.259","","90","","90","","90","","539.18","","","","473","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312033","19.44","","5.3","","5.275","","90","","90","","90","","543.494","","","","573","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312034","19.455","","5.325","","5.29","","90","","90","","90","","548.033","","","","673","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"3000043","13.1049","0.0009","7.8894","0.0005","11.3276","0.0008","90","","90","","90","","1171.16","0.14","100","","100","","","","","","","","","4","C m c 21","C 2c -2","","","","","- H12 N2 O14 U -","","","","","","Rousselin; Meyer","Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and dileptic uranium(VI) complexes","To be published in Inorganic Chemistry","","","","","","","","x-ray","0.71073","MoKα","","0.0402","0.0379","","","0.0811","0.0823","","","","","","1.212","","","","","131842","2020-10-21","18:00:00","2015-07-13"
"3000046","22.86","0.002","11.7003","0.0008","15.6988","0.0011","90","","90","","90","","4198.9","0.6","150","","150","","","","","","","","","6","C m c 21","C 2c -2","","","","","- C43 H44 B2 Cl2 F8 P2 -","","","","","","Stephanie Hurst","","To be published in Tetrahedron Letters","","","","","","","","x-ray","0.71073","MoKα","","0.0326","0.0298","","","0.0735","0.0748","","","","","","1.037","","","","","136061","2020-10-21","18:00:00","2015-10-11"
"3000243","3.0778","0.0006","5.335","0.0014","15.1219","0.0006","90","","90","","90","","248.3","0.08","291.66","","291.66","","","","","","","","","2","C m c 21","C 2c -2","36","","","Moissanite 6O SiC","- C Si -","- C Si -","- C12 Si12 -","12","1.5","","El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia","Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype","Scientific Reports","2020","10","1","7562","","10.1038/s41598-020-64415-4","","x-ray","1.54184","CuKα","","0.0452","0.0329","","","0.0438","0.0442","","","","3.81","3.81","3","","","","has coordinates","251946","2020-10-21","18:00:00",""
"3000399","3.2116","0.0001","9.1666","0.0001","8.4581","0.0001","90","","90","","90","","249.002","0.009","","","","","","","","","","","","2","C m c 21","C 2c -2","","Rhodium gallide (1/3)","","","- Ga12 Rh4 -","","","","","","Wittkaemper, H.; Hock, R.; Weisser, M.; Dallmann, J.; Vogel, C.; Raman, N.; Tacardi, N.; Haumann, M.; Wasserscheid, P.; Hsieh, T.-E.; Maisel, S.; Moritz, M.; Wichmann, C.; Frisch, J.; Gorgoi, M.; Wilks, R. G.; Baer, M.; Wu, M.; Spiecker, E.; Goerling, A.; Unruh, T.; Steinrueck, H.-P.; Christian Papp","","To be published in Scientific Reports","","","","","","","","","","","","","","","","","","","","","","","","","","","","276680","2022-07-06","11:20:14","2022-12-06"
"4000084","20.383","0.004","6.719","0.001","6.565","0.001","90","","90","","90","","899.1","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Mn2 N2 Se2 -","- C3 H10 Mn2 N2 Se2 -","- C12 H40 Mn8 N8 Se8 -","4","0.5","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0466","0.0367","","","0.0886","0.0924","","","","","","1.147","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000668","20.7116","0.0014","6.8564","0.0005","10.5497","0.0007","90","","90","","90","","1498.13","0.18","193","2","193","2","","","","","","","","5","C m c 21","C 2c -2","36","cesium uranyl vanadyl phosphate","","","- Cs2 O14.59 P2 U V2 -","- Cs2 O14.59 P2 U V2 -","- Cs8 O58.36 P8 U4 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm052079i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000698","44.128","0.006","10.789","0.0006","8.351","0.001","90","","90","","90","","3975.9","0.8","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H14 Br N5 S2 -","- C8 Br N4 S2 -","- C96 Br12 N48 S24 -","12","1.5","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.5418","CuKα","","","0.059","","","0.057","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000882","17.8638","0.0012","7.548","0.0007","9.7506","0.0007","90","","90","","90","","1314.73","0.18","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Co3 H6 K2 O16 S3 -","- Co3 H6 K2 O16 S3 -","- Co12 H24 K8 O64 S12 -","4","0.5","","Vilminot, Serge; Baker, Peter J.; Blundell, Stephen J.; Sugano, Tadashi; André, Gilles; Kurmoo, Mohamedally","Giant Magnetic Hardness in the Synthetic Mineral Ferrimagnet K2CoII3(OH)2(SO4)3(H2O)2","Chemistry of Materials","2010","22","13","4090","","10.1021/cm1009515","","","0.71073","MoKα","","0.0315","0.0283","","","0.0559","0.059","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001000","22.474","0.002","10.6415","0.001","14.7196","0.0014","90","","90","","90","","3520.3","0.6","113","2","113","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C51 H38 -","- C51 H38 -","- C204 H152 -","4","0.5","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0375","0.0356","","","0.0841","0.0854","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001077","10.5211","0.0013","10.7151","0.0013","5.7452","0.0007","90","","90","","90","","647.68","0.14","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O5 Pb3 Se -","- O5 Pb3 Se -","- O20 Pb12 Se4 -","4","0.5","","Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv","Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships","Chemistry of Materials","2009","21","21","5335","","10.1021/cm902639p","","","0.71073","MoKα","","0.0263","0.0251","","","0.0506","0.0509","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001128","19.785","0.003","7.2793","0.0009","9.9663","0.0013","90","","90","","90","","1435.4","0.3","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Co3 H10 Na2 O18 S3 -","- Co3 H10 Na2 O18 S3 -","- Co12 H40 Na8 O72 S12 -","4","0.5","","Zhang, Xian-Ming; Li, Cui-Rui; Zhang, Xu-Hui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unusual Slow Magnetic Relaxation in Helical Co3(OH)2Ferrimagnetic Chain Based Cobalt Hydroxysulfates","Chemistry of Materials","2008","20","6","2298","","10.1021/cm7032542","","","0.71073","MoKα","","0.03","0.0281","","","0.0692","0.0705","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001129","18.25","0.004","7.5988","0.0016","9.813","0.002","90","","90","","90","","1360.8","0.5","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Co3 H12 O18 S3 -","- Co3 H12 O18 S3 -","- Co12 H48 O72 S12 -","4","0.5","","Zhang, Xian-Ming; Li, Cui-Rui; Zhang, Xu-Hui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unusual Slow Magnetic Relaxation in Helical Co3(OH)2Ferrimagnetic Chain Based Cobalt Hydroxysulfates","Chemistry of Materials","2008","20","6","2298","","10.1021/cm7032542","","","0.71073","MoKα","","0.0292","0.0266","","","0.0609","0.062","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001325","15.4004","0.0009","15.6539","0.0012","13.6987","0.0008","90","","90","","90","","3302.4","0.4","223","","223","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","1","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71071","MoKα","","0.0532","0.0346","","","0.0524","0.0541","","","","1.51","1.51","1.27","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002918","6.57483","0.00012","18.364","0.0003","16.5153","0.0002","90","","90","","90","","1994.06","0.05","298.62","0.1","298.62","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Cl2 N2 O2 S -","- C22 H12 Cl2 N2 O2 S -","- C88 H48 Cl8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0244","0.0238","","","0.0619","0.0622","","","","","","1.076","","","","has coordinates,has disorder","223182","2020-10-21","18:00:00",""
"4002974","6.64274","0.00017","18.4437","0.0005","16.9726","0.0004","90","","90","","90","","2079.43","0.09","298.48","0.1","298.48","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzioquinone 4,6-dimethyldibenzoselenophene","","- C22 H12 Br2 N2 O2 Se -","- C22 H12 Br2 N2 O2 Se -","- C88 H48 Br8 N8 O8 Se4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0221","0.021","","","0.0547","0.0549","","","","","","1.074","","","","has coordinates,has disorder","220398","2020-10-21","18:00:00",""
"4002975","6.6092","0.0001","18.3407","0.0002","16.8277","0.0001","90","","90","","90","","2039.81","0.04","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Br2 N2 O2 S -","- C22 H12 Br2 N2 O2 S -","- C88 H48 Br8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0374","0.0349","","","0.0819","0.0899","","","","","","1.074","","","","has coordinates,has disorder","220399","2020-10-21","18:00:00",""
"4003252","13.8553","0.0001","17.3992","0.0002","5.03855","0.00005","90","","90","","90","","1214.65","0.02","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polyacetylene/TON","","","- C4 O24 Si12 -","- C4.008 O24 Si12 -","- C8.016 O48 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","4.1515","0.845","","","","","","","has coordinates","231463","2020-10-21","18:00:00",""
"4003253","13.8867","0.0004","17.4429","0.0009","5.04748","0.00019","90","","90","","90","","1222.62","0.09","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polycarbon monoxide/TON","","","- C1.2 O25.2 Si12 -","- C1.204 O25.204 Si12 -","- C2.408 O50.408 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","3.0518","0.25","","","","","","","has coordinates","231464","2020-10-21","18:00:00",""
"4003298","9.598","0.005","8.368","0.005","12.416","0.005","90","0.005","90","0.005","90","0.005","997.2","0.9","420","","420","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0357","0.0262","","","0.0611","0.0672","","","","","","1.043","","","","has coordinates","231502","2020-10-21","18:00:00",""
"4003300","9.476","0.005","8.29","0.005","12.34","0.005","90","0.005","90","0.005","90","0.005","969.4","0.9","296","","296","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0177","0.0171","","","0.0432","0.0435","","","","","","1.098","","","","has coordinates","231504","2020-10-21","18:00:00",""
"4003401","54.188","0.004","8.9661","0.0006","8.7984","0.0006","90","","90","","90","","4274.7","0.5","302","2","302","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H1.25 I10 N6 Pb3 -","- C16 H32 I10 N4 Pb3 -","- C64 H128 I40 N16 Pb12 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.1468","0.0723","","","0.1812","0.2174","","","","","","1.025","","","","has coordinates","231575","2020-10-21","18:00:00",""
"4003495","10.025","0.01","8.764","0.009","8.073","0.008","90","","90","","90","","709.3","1.2","296","2","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B5 F3 O7 Pb -","- B5 F3 O7 Pb -","- B20 F12 O28 Pb4 -","4","0.5","","Han, Shujuan; Mutailipu, Miriding; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00150","","","0.71073","MoKα","","0.0261","0.0252","","","0.0418","0.0422","","","","","","0.948","","","","has coordinates","248531","2020-10-21","18:00:00",""
"4003957","12.2153","0.0006","10.4656","0.0004","7.856","0.0004","90","","90","","90","","1004.31","0.08","290","2","290","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 F5 I Mo O4 -","- Cs2 F5 I Mo O4 -","- Cs8 F20 I4 Mo4 O16 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0265","0.0254","","","0.072","0.0907","","","","","","0.807","","","","has coordinates","266692","2021-06-25","23:06:37",""
"4003958","11.806","0.0013","10.1279","0.0013","7.6661","0.0008","90","","90","","90","","916.64","0.18","289","2","289","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F5 I Mo O4 Rb2 -","- F5 I Mo O4 Rb2 -","- F20 I4 Mo4 O16 Rb8 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0818","0.0696","","","0.1516","0.1578","","","","","","1.175","","","","has coordinates","266693","2021-06-25","23:06:58",""
"4004024","24.9258","0.001","5.4638","0.0002","5.4927","0.0002","90","","90","","90","","748.05","0.05","299","2","299","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Bi5 Na Nb4 O18 -","- Bi5 Na Nb4 O18 -","- Bi10 Na2 Nb8 O36 -","2","0.25","","Kim, Kisung; Lee, Min Hyung; Ok, Kang Min","Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9","Chemistry of Materials","2021","33","16","6564","6571","10.1021/acs.chemmater.1c02203","","x-ray","0.71073","MoKα","","0.0494","0.0492","","","0.1419","0.1421","","","","","","1.14","","","","has coordinates","268448","2021-09-03","21:59:28",""
"4023588","20.757","0.007","10.663","0.002","22.319","0.005","90","","90","","90","","4940","2","100","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C42 H58 F12 N2 O15 P2 -","- C42 H58 F12 N2 O15 P2 -","- C168 H232 F48 N8 O60 P8 -","4","0.5","","Chunlin He; Zuming Shi; Qizhong Zhou; Shijun Li; Ning Li; Feihe Huang","Syntheses of cis- and trans-Dibenzo-30-Crown-10 Derivatives via Regioselective Routes and Their Complexations with Paraquat and Diquat","Journal of Organic Chemistry","2008","73","","5872","5880","10.1021/jo800890x","","","0.71073","MoKα","","0.2549","0.1309","","","0.3018","0.3829","","","","","","1.068","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4026164","16.1669","0.0009","9.9131","0.0005","11.3102","0.0006","90","","90","","90","","1812.62","0.17","173","","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H20 B Cl N4 O2 -","- C20 H20 B Cl N4 O2 -","- C80 H80 B4 Cl4 N16 O8 -","4","0.5","","Yuichi Hirano; Satoshi Kojima; Yohsuke Yamamoto","A Hypervalent Pentacoordinate Boron Compound with an N-B-N Three-Center Four-Electron Bond","Journal of Organic Chemistry","2011","76","","2123","2131","10.1021/jo1024656","","","0.71075","MoKα","","0.0271","0.0261","","","0.0663","0.0668","","","","","","1.059","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4030266","3.3263","0.0009","5.776","0.002","35.876","0.013","90","","90","","90","","689.3","0.4","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Nb2 Pb1.14 S5.14 -","- Nb2 Pb1.08 S5.08 -","- Nb8 Pb4.32 S20.32 -","4","0.5","","Meerschaut, A.; Guemas, L.; Auriel, C.; Rouxel, J.","Preparation, structure determination and transport properties of a new misfit layer compound : (PbS1.14)(NbS2)2","European Journal of Solid State and Inorganic Chemistry","1990","27","","557","570","","","x-ray","0.71069","MoKα","","","0.054","","","0.066","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030500","9.468","0.001","5.502","0.001","4.878","0.005","90","","90","","90","","254.1","0.3","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- N3 Na Si2 -","- N3 Na Si2 -","- N12 Na4 Si8 -","4","0.5","","Jacobs, H.; Mengis, H.","Preparation and crystal structure of a sodium silicon nitride, NaSi2N3","European Journal of Solid State and Inorganic Chemistry","1993","30","","45","53","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0325","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4031229","12.575","","9.654","","7.751","","90","","90","","90","","940.964","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cl3 F3 P3 N3","","- Cl3 F3 N3 P3 -","- Cl3 F3 N3 P3 -","- Cl12 F12 N12 P12 -","4","0.5","","Clare, P.; King, T.J.; Sowerby, D.B.","Crystal Structures of cis-2,4,6-Trichloro- and cis-2,4,6-Tribromo-2,4,6-trifluorocyclotri(phosphazene)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1974","1974","","2071","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","148694","2020-10-21","18:00:00",""
"4031230","12.514","","10.144","","7.987","","90","","90","","90","","1013.89","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","P3 N3 Br3 F3","","- Br3 F3 N3 P3 -","- Br3 F3 N3 P3 -","- Br12 F12 N12 P12 -","4","0.5","","Clare, P.; King, T.J.; Sowerby, D.B.","Crystal structures of cis-2,4,6-trichloro- and cis-2,4,6-tribromo-2,4,6-trifluorocyclotri(phosphazene )","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1974","1974","","2071","2074","","","","","","","","","","","","","","","","","","","","","","has coordinates","148695","2020-10-21","18:00:00",""
"4034979","17.237","0.004","12.996","0.002","16.538","0.003","90","","90","","90","","3704.7","1.2","233","2","233","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38 H45 Cs N8 O4 -","- C38 H45 Cs N8 O4 -","- C152 H180 Cs4 N32 O16 -","4","0.5","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0185","0.018","","","0.0477","0.048","","","","","","0.996","","","","has coordinates,has disorder","226486","2020-10-21","18:00:00",""
"4035466","26.3604","0.0004","9.2591","0.0002","8.1138","0.0001","90","","90","","90","","1980.36","0.06","100.01","0.16","100.01","0.16","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0308","0.0292","","","0.0785","0.0798","","","","","","1.083","","","","has coordinates","226921","2020-10-21","18:00:00",""
"4036804","34.2","0.2","11.86","0.08","6.9","0.05","90","","90","","90","","2799","3","173","","173","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H28 O2 P2 S6 -","- C25 H28 O2 P2 S6 -","- C100 H112 O8 P8 S24 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","0.0708","0.0387","","","0.058","0.0648","","","","","","0.935","","","","has coordinates","235249","2020-10-21","18:00:00",""
"4060473","19.2679","0.0019","10.2436","0.0009","13.7096","0.0014","90","","90","","90","","2705.9","0.5","117","2","117","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H43 B N2 Ti -","- C29 H43 B N2 Ti -","- C116 H172 B4 N8 Ti4 -","4","0.5","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061896","30.742","0.002","7.4158","0.0004","6.465","0.0003","90","","90","","90","","1473.86","0.14","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 N2 O2 -","- C18 H19 N2 O2 -","- C72 H76 N8 O8 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063909","14.854","0.005","18.898","0.005","17.153","0.005","90","0.005","90","0.005","90","0.005","4815","2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C51 H41 Cl6 N2 O3 P2 Ru -","- C51 H41 Cl6 N2 O3 P2 Ru -","- C204 H164 Cl24 N8 O12 P8 Ru4 -","4","0.5","","Ghosh, Kaushik; Kumar, Sushil; Kumar, Rajan; Singh, Udai P.; Goel, Nidhi","Photocleavage of Coordinated NO under Visible Light from Two Different Classes of Organometallic Ruthenium Nitrosyl Complexes: Reversible Binding of Phenolato Function","Organometallics","2011","30","9","2498","","10.1021/om101022p","","","0.71073","MoKα","","0.0709","0.0573","","","0.1677","0.1968","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064152","18.391","0.002","20.224","0.003","7.7205","0.001","90","","90","","90","","2871.6","0.6","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C31 H27 Cl3 Fe3 -","- C31 H28 Cl3 Fe3 -","- C124 H112 Cl12 Fe12 -","4","0.5","","Salmi, Mauro; Busetto, Luigi; Mazzoni, Rita; Zacchini, Stefano; Zanotti, Valerio","New and Selective Routes to Functionalized Biferrocenes and Terferrocenes by [3 + 2] Cycloadditions of Alkynes with Bridging C3Ligands in Diiron Complexes","Organometallics","2011","30","5","1175","","10.1021/om101162r","","","0.71073","MoKα","","0.0199","0.0186","","","0.0472","0.0481","","","","","","1.062","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4066110","21.7105","0.0018","7.1769","0.0008","8.9718","0.0008","90","","90","","90","","1397.9","0.2","193","2","193","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H18 Hg N2 -","- C16 H18 Hg N2 -","- C64 H72 Hg4 N8 -","4","0.5","","Patel, Upali; Sharma, Sagar; Singh, Harkesh B.; Dey, Sandip; Jain, Vimal K.; Wolmershäuser, Gotthelf; Butcher, Ray J.","Intermetallic Bonds in Metallophilic Mercuraazametallamacrocycles of Synthetic Design","Organometallics","2010","29","19","4265","","10.1021/om100297v","","","0.71073","MoKα","","0.0255","0.0245","","","0.0584","0.0596","","","","","","1.092","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4067354","13.252","0.0005","11.3612","0.0007","15.6074","0.0009","90","","90","","90","","2349.8","0.2","183","2","183","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H37 Ca I N4 -","- C18 H37 Ca I N4 -","- C72 H148 Ca4 I4 N16 -","4","0.5","","Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Stability and Reactivity of Phenylstrontium Compounds in Solution","Organometallics","2010","29","9","2034","","10.1021/om900888g","","","0.71073","MoKα","","0.0524","0.0359","","","0.0744","0.0807","","","","","","1.014","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4068763","11.345","0.003","9.915","0.003","13.767","0.004","90","","90","","90","","1548.6","0.8","193","2","193","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C13 H18 Cu F3 O3 S -","- C13 H18 Cu F3 O2.999 S0.999 -","- C52 H72 Cu4 F12 O11.996 S3.996 -","4","0.5","","Bellott, Brian J.; Girolami, Gregory S.","Structures and Properties of Copper Alkene Complexes. Preorganization Effects and the Binding of Different Isomers of Cyclododecatriene to Copper Triflate","Organometallics","2009","28","7","2046","","10.1021/om801078c","","","0.71073","MoKα","","0.0491","0.0295","","","0.0514","0.0529","","","","","","0.834","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4069945","21.8915","0.0017","21.9518","0.0019","17.8889","0.0015","90","","90","","90","","8596.7","1.2","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H72 Au2 P2 -","- C46 H72 Au2 P2 -","- C368 H576 Au16 P16 -","8","1","","Gao, Lei; Peay, Miya A.; Partyka, David V.; Updegraff, James B.; Teets, Thomas S.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Mono- and Di-Gold(I) Naphthalenes and Pyrenes: Syntheses, Crystal Structures, and Photophysics","Organometallics","2009","28","19","5669","","10.1021/om9005214","","","0.71073","MoKα","","0.0711","0.0598","","","0.1476","0.1546","","","","","","1.049","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4070370","9.1007","0.0006","14.7533","0.001","13.0941","0.0009","90","","90","","90","","1758.1","0.2","193","2","193","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H26 B Co F4 -","- C17 H26 B Co F4 -","- C68 H104 B4 Co4 F16 -","4","0.5","","Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.","Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt","Organometallics","2009","28","23","6807","","10.1021/om900754h","","","0.71073","MoKα","","0.0322","0.0312","","","0.0775","0.0781","","","","","","1.112","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070859","9.0438","0.0005","13.2365","0.0007","12.6151","0.0007","90","","90","","90","","1510.13","0.14","163","2","163","2","","","","","","","","5","C m c 21","C 2c -2","36","[(Cp*OH)Ru(benzene)]Cl","","","- C16 H21 Cl O Ru -","- C16 H21 Cl O Ru -","- C64 H84 Cl4 O4 Ru4 -","4","0.5","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.023","0.0196","","","0.0466","0.0474","","","","","","1.048","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070903","15.06","0.002","9.6563","0.0016","8.8505","0.0015","90","","90","","90","","1287.1","0.3","100","2","100","2","","","","","","","synthesis as described","3","C m c 21","C 2c -2","36","","","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","0.5","","Kirillov, Evgueni; Kahlal, Samia; Roisnel, Thierry; Georgelin, Thomas; Saillard, Jean-Yves; Carpentier, Jean-François","Haptotropic Rearrangements in Sandwich (Fluorenyl)(Cyclopentadienyl) Iron and Ruthenium Complexes","Organometallics","2008","27","3","387","","10.1021/om701109z","","x-ray","0.71073","MoKα","","0.0414","0.0326","","","0.0655","0.0675","","","","","","1.037","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4073014","18.071","0.004","11.112","0.002","14.124","0.003","90","","90","","90","","2836.2","1","103","2","103","2","","","","","","","","5","C m c 21","C 2c -2","36","BzRu(Cl)NacNacMe","","","- C28 H32 Cl4 N2 Ru -","- C28 H32 Cl4 N2 Ru -","- C112 H128 Cl16 N8 Ru4 -","4","0.5","","Phillips, Andrew D.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Facile, Thermoreversible Cycloaddition of Small Molecules to a Ruthenium(II) Arene β-Diketiminate","Organometallics","2007","26","5","1120","","10.1021/om070017r","","","0.71073","MoKα","","0.0244","0.0226","","","0.0531","0.0539","","","","","","1.082","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073584","17.415","0.004","19.118","0.004","13.417","0.003","90","","90","","90","","4467.1","1.7","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18.5 H19 Cl3 O3 Zr2.5 -","- C18.5 H19 Cl3 O3 Zr2.5 -","- C148 H152 Cl24 O24 Zr20 -","8","1","","Hill, Anthony F.; Smith, Matthew K.","Cyclooctatetraene Poly(azolyl)borate Complexes of Zirconium: [Zr(κ2-L)Cl(η-C8H8)] (L = H2B(pz)2, HB(pzMe2)3, H2B(mt)2; pz = Pyrazolyl, mt = Methimazolyl)","Organometallics","2007","26","16","3900","","10.1021/om700484h","","","0.71073","MoKα","","0.0718","0.0575","","","0.1604","0.1702","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075113","14.867","0.003","17.634","0.003","17.202","0.003","90","","90","","90","","4509.8","1.4","110","2","110","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C37 H70 B9 Mo N5 -","- C37 H70 B9 Mo N5 -","- C148 H280 B36 Mo4 N20 -","4","0.5","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0472","0.0373","","","0.0907","0.0946","","","","","","1.018","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4076170","18.08","0.004","17.14","0.004","16.732","0.004","90","","90","","90","","5185","2","211","2","211","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C54.5 H52 Cr N5 O1.38 -","- C49 H41 Cr N5 -","- C196 H164 Cr4 N20 -","4","0.5","","Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert","Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst","Organometallics","2005","24","22","5214","","10.1021/om050699n","","","0.71073","MoKα","","0.0583","0.0518","","","0.1185","0.1223","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076180","21.0382","0.001","9.7005","0.0005","9.9477","0.0005","90","","90","","90","","2030.14","0.18","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C21 H26 Ag Cl N2 -","- C21 H26 Ag Cl N2 -","- C84 H104 Ag4 Cl4 N8 -","4","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0111","0.0111","","","0.0296","0.0297","","","","","","1.078","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4078385","14.6048","0.0012","17.1715","0.0012","17.156","0.002","90","","90","","90","","4302.5","0.7","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C46 H39 Cl5 O3 P2 Pd -","- C46 H39 Cl5 O3 P2 Pd -","- C184 H156 Cl20 O12 P8 Pd4 -","4","0.5","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N‘,N‘-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]−Cl···HO2C−Aryl and [Pd]−Cl···HOMe HO(O)C−Aryl Hydrogen Bonds†","Organometallics","1997","16","24","5269","","10.1021/om970583u","","","0.71073","MoKα","","0.0216","0.0198","","0.0474","0.0471","","","","1.061","1.081","1.081","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4080078","12.5662","0.0003","8.2197","0.0002","15.8285","0.0004","90","","90","","90","","1634.93","0.07","223","2","223","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H15 F6 Ir O -","- C17 H15 F6 Ir O -","- C68 H60 F24 Ir4 O4 -","4","0.5","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.0208","0.0207","","","0.0529","0.0529","","","","","","1.067","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4081092","31.6302","0.0006","17.407","0.0002","16.7434","0.0003","90","","90","","90","","9218.7","0.3","120","2","120","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C84 H134 Bi3 Cl3 N6 Si3 -","- C84 H134 Bi3 Cl3 N6 Si3 -","- C336 H536 Bi12 Cl12 N24 Si12 -","4","0.5","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","","0.71073","MoKα","","0.0321","0.0266","","","0.0465","0.0479","","","","","","1.017","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4082133","16.7451","0.0006","16.7451","0.0006","11.4298","0.0006","90","","90","","90","","3204.9","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H49 B11 Na2 O4 -","- C20 H47 B11 Na2 O4 -","- C80 H188 B44 Na8 O16 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.104","0.0884","","","0.2361","0.2575","","","","","","1.066","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4087562","12.853","0.004","13.165","0.004","14.31","0.004","90","","90","","90","","2421.4","1.3","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H34 F3 N P2 Pt -","- C20 H34 F3 N P2 Pt -","- C80 H136 F12 N4 P8 Pt4 -","4","0.5","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0184","0.0153","","","0.0356","0.0366","","","","","","1.041","","","","has coordinates","236851","2020-10-21","18:00:00",""
"4100383","18.38","0.006","24.348","0.008","10.254","0.003","90","","90","","90","","4588.7","2.5","173.1","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C47 H71 N O3 Ti -","- C47 H53 N O3 Ti -","- C188 H212 N4 O12 Ti4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053740m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100531","14.636","0.005","25.02","0.009","15.322","0.005","90","","90","","90","","5611","3","90","2","90","2","","","","","","","","7","C m c 21","C 2c -2","36","2{[(μ3-S)(AuCNC6H11)3](PF6)}","","","- C21 H33 Au3 F6 N3 P S -","- C21 H33 Au3 F6 N3 P S -","- C168 H264 Au24 F48 N24 P8 S8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100532","15.1136","0.0008","26.613","0.0014","15.988","0.0009","90","","90","","90","","6430.7","0.6","190","2","190","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4101806","13.186","0.003","12.994","0.003","6.7057","0.0014","90","","90","","90","","1148.9","0.4","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5","","","- C10 H10 S2 Si -","- C10 H10 S2 Si -","- C40 H40 S8 Si4 -","4","0.5","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0284","0.0276","","","0.0702","0.0725","","","","","","1.115","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102044","13.723","0.002","17.458","0.003","5.0756","0.0008","90","","90","","90","","1216","0.3","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4.92 F0.82 N1.64 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","- C4.8 F0.8 N1.6 O48 Si24 -","1","0.125","","Claudio M. Zicovich-Wilson; Felipe Gándara; Angeles Monge; Miguel A. Camblor","In SituTransformation of TON Silica Zeolite into the Less Dense ITW: Structure-Direction Overcoming Framework Instability in the Synthesis of SiO2 Zeolites","Journal of the American Chemical Society","2010","132","","3461","3471","10.1021/ja9094318","","","0.71073","MoKα","","0.0789","0.0618","","","0.149","0.1572","","","","","","1.056","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102194","14.5313","0.0013","13.9827","0.0013","14.7422","0.0014","90","","90","","90","","2995.4","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Ni(PyN2(Me2))OH]","","","- C31 H42 N4 Ni O3 -","- C31 H22 N4 Ni O3 -","- C124 H88 N16 Ni4 O12 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0476","0.0462","","","0.1224","0.1242","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102208","14.461","0.005","13.742","0.005","14.839","0.005","90","","90","","90","","2948.9","1.8","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Pd(PyN2(Me2))OH]","","","- C31 H42 N4 O3 Pd -","- C31 H22 N4 O3 Pd -","- C124 H88 N16 O12 Pd4 -","4","0.5","","Deguang Huang; R. H. Holm","Reactions of the Terminal NiII-OH Group in Substitution and Electrophilic Reactions with Carbon Dioxide and Other Substrates: Structural Definition of Binding Modes in an Intramolecular NiII...FeII Bridged Site","Journal of the American Chemical Society","2010","132","","4693","4701","10.1021/ja1003125","","","0.71073","MoKα","","0.0526","0.0461","","","0.1104","0.1158","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103703","4.237","0.0013","15.17","0.005","6.0214","0.0019","90","","90","","90","","387","0.2","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Mn -","- Ba F4 Mn -","- Ba4 F16 Mn4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0388","0.0379","","","0.0925","0.0931","","","","","","1.076","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103704","4.2173","0.0004","14.6573","0.0014","5.8656","0.0006","90","","90","","90","","362.58","0.06","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Co F4 -","- Ba Co F4 -","- Ba4 Co4 F16 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0161","0.016","","","0.0412","0.0413","","","","","","1.158","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103705","4.1591","0.0009","14.492","0.003","5.8078","0.0012","90","","90","","90","","350.06","0.13","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba F4 Ni -","- Ba F4 Ni -","- Ba4 F16 Ni4 -","4","0.5","","Sun Woo Kim; Hong Young Chang; P. Shiv Halasyamani","Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family","Journal of the American Chemical Society","2010","132","","17684","17685","10.1021/ja108965s","","","0.71073","MoKα","","0.0294","0.0262","","","0.0501","0.051","","","","","","1.126","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4104761","26.018","0.005","9.2556","0.0016","7.6909","0.0013","90","","90","","90","","1852.1","0.6","193","2","193","2","","","","","","","","2","C m c 21","C 2c -2","36","","diindeno[1,2,3-bc:1',2',3'-hi]corannulene","","- C32 H14 -","- C32 H14 -","- C128 H56 -","4","0.5","","Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott","Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations","Journal of the American Chemical Society","2009","131","","10537","10545","10.1021/ja9031852","","","0.71073","MoKα","","0.0417","0.0381","","","0.0884","0.0905","","","","","","1.007","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4105442","10.9903","0.0002","12.2569","0.0003","10.5191","0.0002","90","","90","","90","","1417","0.05","223","2","223","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H23 N2 P -","- C12 H23 N2 P -","- C48 H92 N8 P4 -","4","0.5","","Kirsten Spannhoff; Nadine Kuhl; Gerald Kehr; Roland Fröhlich; Gerhard Erker","Remarkable Product Diversity in the ""Self-Organized"" Reaction of Deprotonated Acetonitrile with Chlorophosphines","Journal of the American Chemical Society","2009","131","","17836","17842","10.1021/ja905676a","","","1.54178","CuKα","","0.0302","0.0299","","","0.0771","0.0774","","","","","","1.073","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105791","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal","M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics","Journal of the American Chemical Society","2011","133","","3792","3795","10.1021/ja1117683","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106907","16.2916","0.0005","18.644","0.0006","15.7275","0.0005","90","","90","","90","","4777.1","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C47 H51 Co N5 O0.5 S2 -","- C47 H51 Co N5 O0.5 S2 -","- C188 H204 Co4 N20 O2 S8 -","4","0.5","","Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson","Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications","Journal of the American Chemical Society","2011","133","","15814","15817","10.1021/ja204562m","","","0.71073","MoKα","","0.1705","0.0693","","","0.1064","0.1323","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106961","17.7727","0.0008","12.6382","0.0006","8.1349","0.0004","90","","90","","90","","1827.22","0.15","296","2","296","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C32 H12 -","- C32 H12 -","- C128 H48 -","4","0.5","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.0414","0.0328","","","0.077","0.0819","","","","","","1.051","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4107360","37.028","0.002","29.3262","0.0019","29.3677","0.0018","90","","90","","90","","31890","3","193","2","193","2","","","","","","","","10","C m c 21","C 2c -2","36","","","","- C998.48 H1702.91 Ag2.48 B115.33 Br62.91 Cl8 Fe8 N32 O64 Si64 -","- C1000.49 H1706.93 Ag2.488 B115.368 Br62.928 Cl8 Fe8 N32 O64 Si64 -","- C1000.49 H1706.93 Ag2.488 B115.368 Br62.928 Cl8 Fe8 N32 O64 Si64 -","1","0.125","","Ming Fang; Scott R. Wilson; Kenneth S. Suslick","A Four-Coordinate Fe(III) Porphyrin Cation","Journal of the American Chemical Society","2008","130","","1134","1135","10.1021/ja078061l","","","0.71073","MoKα","","0.3398","0.0986","","","0.2398","0.2824","","","","","","1.289","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108959","8.7968","0.0004","14.4109","0.0006","10.9609","0.0005","90","","90","","90","","1389.51","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H28 N2 Pd -","- C12 H28 N2 Pd -","- C48 H112 N8 Pd4 -","4","0.5","","John E. Bercaw; George S. Chen; Jay A. Labinger; Bo-Lin Lin","Hydrogen Tunneling in Protonolysis of Platinum(II) and Palladium(II) Methyl Complexes: Mechanistic Implications","Journal of the American Chemical Society","2008","130","","17654","17655","10.1021/ja807427d","","","0.71073","MoKα","","0.0553","0.0415","","","0.0743","0.0769","","","","","","1.379","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108994","16.19","0.005","27.376","0.008","14.093","0.004","90","","90","","90","","6246","3","90","2","90","2","","","","","","","","2","C m c 21","C 2c -2","36","pentaindenocorannulene","pentaindeno[1,2,3-bc; 1',2',3'-ef; 1'',2'',3''-hi; 1'''',2'''',3''''-no]corannulene","","- C53.5 H24 -","- C53.5 H24 -","- C428 H192 -","8","1","","Edward A. Jackson; Brian D. Steinberg; Mihail Bancu; Atsushi Wakamiya; Lawrence T. Scott","Pentaindenocorannulene and Tetraindenocorannulene: New Aromatic Hydrocarbon π Systems with Curvatures Surpassing That of C60","Journal of the American Chemical Society","2007","129","","484","485","10.1021/ja067487h","","","0.7107","MoKα","","0.1133","0.0944","","","0.2344","0.2542","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109105","37.074","0.002","9.0221","0.0005","9.3593","0.0005","90","","90","","90","","3130.5","0.3","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H29 N9 O4 -","- C33 H29 N9 O4 -","- C132 H116 N36 O16 -","4","0.5","","Iwao Okamoto; Mayumi Nabeta; Yasuko Hayakawa; Nobuyoshi Morita; Tetsuya Takeya; Hyuma Masu; Isao Azumaya; Osamu Tamura","Acid-Induced Molecular Folding and Unfolding of N-Methyl Aromatic Amide Bearing 2,6-Disubstituted Pyridines","Journal of the American Chemical Society","2007","129","","1892","1893","10.1021/ja0682879","","","0.71073","MoKα","","0.095","0.0531","","","0.099","0.1133","","","","","","0.937","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109270","4.6184","0.0017","17.418","0.006","7.178","0.003","90","","90","","90","","577.4","0.4","120","2","120","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Cd Sb2 Yb2 -","- Cd Sb2 Yb2 -","- Cd4 Sb8 Yb8 -","4","0.5","","Sheng-qing Xia; Svilen Bobev","Cation-Anion Interactions as Structure Directing Factors: Structure and Bonding of Ca2CdSb2 and Yb2CdSb2","Journal of the American Chemical Society","2007","129","","4049","4057","10.1021/ja069261k","","","0.71073","MoKα","","0.0216","0.0216","","","0.0463","0.0463","","","","","","1.111","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4110050","16.14097","0.00018","16.8563","0.0003","15.227","0.0004","90","","90","","90","","4142.92","0.14","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C46 H36 Cl6 P2 Pt -","- C45 H34 Cl4 P2 Pt -","- C180 H136 Cl16 P8 Pt4 -","4","0.5","","Laura Bini; Christian Müller; Jos Wilting; Lars von Chrzanowski; Anthony L. Spek; Dieter Vogt","Highly Selective Hydrocyanation of Butadiene toward 3-Pentenenitrile","Journal of the American Chemical Society","2007","129","","12622","12623","10.1021/ja074922e","","","0.71073","MoKα","","0.0272","0.0268","","","0.07","0.0702","","","","","","1.037","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4111319","23.6307","0.0002","9.7837","0.0004","17.1251","0.0005","90","","90","","90","","3959.2","0.2","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C38 H39 Cl4 N2 O2 Rh -","- C38 H39 Cl4 N2 O2 Rh -","- C152 H156 Cl16 N8 O8 Rh4 -","4","0.5","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.0648","0.0468","","","0.1149","0.1239","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111973","9.449","0.006","16.93","0.01","13.252","0.008","90","","90","","90","","2120","2","223.2","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C15 H27 Mo O4 P Ru S3 -","- C15 H27 Mo O4 P Ru S3 -","- C60 H108 Mo4 O16 P4 Ru4 S12 -","4","0.5","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0396","","","","0.0879","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112785","11.1863","0.0002","26.3305","0.0003","29.6214","0.0002","90","","90","","90","","8724.71","0.19","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- H63 K6 Mo12 O60 P3 S12 -","- K6 Mo12 O60 P3 S12 -","- K24 Mo48 O240 P12 S48 -","4","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0562","0.0465","","","0.1269","0.1355","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4113036","20.76","0.0014","10.8497","0.0007","21.0042","0.0014","90","","90","","90","","4731","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C39 H48 Cu8 N16 -","- C39 H48 Cu8 N16 -","- C156 H192 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0531","0.0431","","","0.0936","0.0978","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113038","20.8478","0.0014","10.8591","0.0007","20.9398","0.0014","90","","90","","90","","4740.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H46 Cu8 N16 -","- C38 H46 Cu8 N16 -","- C152 H184 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0377","0.0339","","","0.0796","0.0813","","","","","","1.05","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113039","20.8445","0.0013","10.8978","0.0007","20.9081","0.0013","90","","90","","90","","4749.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H52 Cu8 N16 -","- C38 H52 Cu8 N16 -","- C152 H208 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0304","0.0285","","","0.0797","0.0805","","","","","","1.085","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113122","22.9618","0.0003","14.7301","0.0002","22.6265","0.0004","90","","90","","90","","7653","0.2","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","Compound HA162","","","- C36 H98 N6 O58 W12 -","- C36 H60 N6 O58 W12 -","- C144 H240 N24 O232 W48 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.041","0.0297","","","0.0638","0.0667","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113465","32.151","0.0002","17.229","0.0003","10.212","0.0001","90","","90","","90","","5656.73","0.12","296","2","296","2","","","","","","","","8","C m c 21","C 2c -2","36","MIL-50","","","- C12 H37 F7 Ga9 N4 O40.5 P9 Rb2 -","- C12 H36 F7 Ga9 N4 O39.75 P9 Rb2 -","- C48 H144 F28 Ga36 N16 O159 P36 Rb8 -","4","0.5","","Lionel Beitone; Jérôme Marrot; Thierry Loiseau; Gérard Férey; Marc Henry; Clarisse Huguenard; Axel Gansmuller; Francis Taulelle","MIL-50, an Open-Framework GaPO with a Periodic Pattern of Small Water Ponds and Dry Rubidium Atoms: a Combined XRD, NMR, and Computational Study","Journal of the American Chemical Society","2003","125","","1912","1922","10.1021/ja029072b","","","0.71073","MoKα","","0.0701","0.0509","","","0.1212","0.1423","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113797","20.666","0.0012","6.89","0.0004","6.7513","0.0004","90","","90","","90","","961.31","0.1","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cd2 N2 Se2 -","- C3 H10 Cd2 N2 Se2 -","- C12 H40 Cd8 N8 Se8 -","4","0.5","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07153","","1.25","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4114225","19.827","0.005","12.558","0.005","21.186","0.005","90","0.005","90","0.005","90","0.005","5275","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C53 H54 Cl2 O12 P2 -","- C54 H52 Cl2 O12 P2 -","- C216 H208 Cl8 O48 P8 -","4","0.5","","Michele Suman; Micol Freddi; Chiara Massera; Franco Ugozzoli; Enrico Dalcanale","Rational Design of Cavitand Receptors for Mass Sensors","Journal of the American Chemical Society","2003","125","","12068","12069","10.1021/ja0355271","","","0.71073","MoKα","","0.073","0.0532","","","0.1351","0.1442","","","","","","0.947","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114355","15.187","0.003","37.638","0.008","23.04","0.005","90","","90","","90","","13170","5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","(K-18C6)6[Ge9=Ge9=Ge9].2en","","- C75 H158 Ge27 K6 N4 O36 -","- C75 H157.99 Ge27 K6 N4 O36 -","- C300 H631.96 Ge108 K24 N16 O144 -","4","0.5","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.1782","0.1184","","","0.2735","0.2939","","","","","","1.097","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114911","15.614","0.009","8.36","0.005","13.142","0.008","90","","90","","90","","1715.5","1.8","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H3.2 O18.6 Rb2 Si6 V2 -","- O18.6 Rb2 Si6 V2 -","- O74.4 Rb8 Si24 V8 -","4","0.5","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Open-Framework and Microporous Vanadium Silicates","Journal of the American Chemical Society","2002","124","","7812","7820","10.1021/ja020354l","","","0.71073","MoKα","","0.1454","0.0781","","","0.1709","0.1975","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115520","7.5013","0.001","20.576","0.003","15.796","0.002","90","","90","","90","","2438.1","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(guanidinium) mesitylenedisulfonate, aceteone and methanol clathrate","","","- C15 H32 N6 O8 S2 -","- C15 H32 N6 O8 S2 -","- C60 H128 N24 O32 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0342","0.0317","","","0.0823","0.0833","","","","","","1.098","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4116159","22.448","0.005","10.029","0.002","9.4089","0.0014","90","","90","","90","","2118.2","0.7","295","2","295","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H26 Al2 N2 -","- C20 H26 Al2 N2 -","- C80 H104 Al8 N8 -","4","0.5","","Zhengkun Yu; Joanne M. Wittbrodt; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Unusually Stable Pyrazolate-Bridged Dialuminum Complexes Containing Bridging Methyl Groups","Journal of the American Chemical Society","2000","122","","9338","9339","10.1021/ja001822z","","","0.71073","MoKα","","0.2015","0.0745","","0.1498","0.1163","","","","1.045","1.31","1.31","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116212","24.296","0.004","10.165","0.003","21.828","0.006","90","","90","","90","","5391","2","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H32 Mo10 O33 Rb4 S10 -","- C10 Mo10 O33 Rb4 S10 -","- C40 Mo40 O132 Rb16 S40 -","4","0.5","","Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot","""Wheeling Templates"" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics","Journal of the American Chemical Society","2000","122","","10381","10389","10.1021/ja001878t","","","0.71073","MoKα","","0.1167","0.06","","0.1593","0.1294","","","","1.114","1.125","1.125","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116808","17.8507","0.0013","14.1146","0.0012","13.7229","0.0012","90","","90","","90","","3457.6","0.5","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","(Me5CpW)3B8H9","","- C30 H54 B8 W3 -","- C30 H54 B8 W3 -","- C120 H216 B32 W12 -","4","0.5","","Andrew S. Weller; Maoyu Shang; Thomas P. Fehlner","Synthesis and Structure of the Metallaborane Cp*3(μ-H)W3B8H8 from the Thermolysis of Cp*H3WB4H8 (Cp* = η5-C5Me5). A Close-Packed 11-Atom Boron-Rich Cluster","Journal of the American Chemical Society","1998","120","","8283","8284","10.1021/ja981101o","","","0.71073","MoKα","","0.0363","0.0349","","0.1","0.0929","","","","1.061","1.062","1.062","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4117701","14.9441","0.001","22.035","0.0015","22.0108","0.0014","90","","90","","90","","7248","0.8","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H44 F12 Mo2 N13 O14 S4 -","- C68 H44 F12 Mo2 N13 O14 S4 -","- C272 H176 F48 Mo8 N52 O56 S16 -","4","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0306","0.0299","","","0.082","0.0825","","","","","","1.273","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117781","9.611","0.003","32.246","0.01","12.883","0.004","90","","90","","90","","3993","2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba23 Ga8 S38 Sb2 -","- Ba23 Ga8 S38 Sb2 -","- Ba46 Ga16 S76 Sb4 -","2","0.25","","Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen","Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38","Journal of the American Chemical Society","2012","134","","6058","6060","10.1021/ja300249n","","","0.71073","MoKα","","0.0167","0.0155","","","0.0375","0.0377","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4118100","6.301","0.0013","7.921","0.0016","15.916","0.003","90","","90","","90","","794.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Aaron Mailman; Stephen M. Winter; Xin Yu; Craig M. Robertson; Wenjun Yong; John S. Tse; Richard A. Secco; Zhenxian Liu; Paul A. Dube; Judith A. K. Howard; Richard T. Oakley","Crossing the Insulator-to-Metal Barrier with a Thiazyl Radical Conductor","Journal of the American Chemical Society","2012","134","","9886","9889","10.1021/ja303169y","","","0.6889","","","0.054","0.0534","","","0.1253","0.1258","","","","","","1.16","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118668","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118960","19.3748","0.001","16.0589","0.001","16.0249","0.0011","90","","90","","90","","4986","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H56 I2 N24 O22 -","- C36 H36 I2 N24 O21 -","- C144 H144 I8 N96 O84 -","4","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.0864","0.0738","","","0.2034","0.2163","","","","","","1","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119492","18.8112","0.0015","10.7151","0.0006","8.6031","0.0005","90","","90","","90","","1734.1","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B11 Ba4 F O20 -","- B11 Ba4 F O20 -","- B44 Ba16 F4 O80 -","4","0.5","","Hongping Wu; Hongwei Yu; Zhihua Yang; Xueling Hou; Xin Su; Shilie Pan; Kenneth R. Poeppelmeier; James M. Rondinelli","Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response","Journal of the American Chemical Society","2013","135","","4215","4218","10.1021/ja400500m","","","0.71073","MoKα","","0.0142","0.0141","","","0.0338","0.0338","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4120248","4.7028","0.0011","8.146","0.0018","7.7921","0.0018","90","","90","","90","","298.51","0.12","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag0.93 Ca0.91 La0.09 Sb -","- Ag0.929 Ca0.881 La0.119 Sb -","- Ag3.716 Ca3.524 La0.476 Sb4 -","4","0.5","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0311","0.027","","","0.0624","0.0642","","","","","","1.299","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120329","10.358","0.0008","10.9827","0.0008","12.1927","0.0009","90","","90","","90","","1387.03","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H18 B10 F2 -","- C6 H18 B10 F2 -","- C24 H72 B40 F8 -","4","0.5","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.0636","0.0566","","","0.1505","0.1594","","","","","","1.099","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120491","8.4268","0.0008","19.2101","0.0019","14.5611","0.0014","90","","90","","90","","2357.1","0.4","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B9 Cs3 O21 Zn6 -","- B9 Cs3 O21 Zn6 -","- B36 Cs12 O84 Zn24 -","4","0.5","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M.","Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.","Journal of the American Chemical Society","2014","136","4","1264","1267","10.1021/ja4117389","","","0.71073","MoKα","","0.0245","0.0214","","","0.0445","0.0457","","","","","","1.006","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4121251","25.8165","0.0004","15.5331","0.0002","7.8898","0.0001","90","","90","","90","","3163.89","0.08","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C37 H46 Fe N4 -","- C37 H46 Fe N4 -","- C148 H184 Fe4 N16 -","4","0.5","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54178","CuKα","","0.0386","0.0366","","","0.0946","0.0994","","","","","","1.074","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121924","13.8563","0.0013","13.5078","0.0013","12.344","0.0012","90","","90","","90","","2310.4","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H42 Mo P4 Si -","- C12 H42 Mo P4 Si -","- C48 H168 Mo4 P16 Si4 -","4","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0421","0.0318","","","0.0569","0.0604","","","","","","1.034","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122287","18.1424","0.0006","28.4624","0.0009","21.3281","0.0006","90","","90","","90","","11013.3","0.6","100","2","99.99","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H96 F36 N16 P6 -","- C104 H95.5 F36 N16 P6 -","- C416 H382 F144 N64 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0465","0.0456","","","0.1232","0.1251","","","","","","1.075","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4125556","16.7064","0.0017","13.0153","0.0014","15.7175","0.0017","90","","90","","90","","3417.6","0.6","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C38 H35 F4 Fe N2 O2 P -","- C38 H35 F4 Fe N2 O2 P -","- C152 H140 F16 Fe4 N8 O8 P4 -","4","0.5","","Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang","An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00484","","","0.71073","MoKα","","0.0545","0.0445","","","0.1118","0.1184","","","","","","1.019","","","","has coordinates","192606","2020-10-21","18:00:00",""
"4125781","6.3278","0.0015","7.8999","0.0019","15.744","0.004","90","","90","","90","","787","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 N2 O2 S4 -","- C6 N2 O2 S4 -","- C24 N8 O8 S16 -","4","0.5","","Mailman, Aaron; Leitch, Alicea A.; Yong, Wenjun; Steven, Eden; Winter, Stephen M.; Claridge, Robert C. M.; Assoud, Abdeljalil; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Oakley, Richard T.","The Power of Packing: Metallization of an Organic Semiconductor.","Journal of the American Chemical Society","2017","139","6","2180","2183","10.1021/jacs.6b12814","","","0.71073","MoKα","","0.0368","0.033","","","0.0758","0.0952","","","","","","1.181","","","","has coordinates","193155","2020-10-21","18:00:00",""
"4126154","17.2315","0.0015","12.7392","0.0011","19.4043","0.0016","90","","90","","90","","4259.5","0.6","100","2","100.04","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C30.44 H68.49 Mn4.39 N8 O1.17 -","- C30.436 H68.481 Mn4.391 N8 O1.173 -","- C121.744 H273.924 Mn17.564 N32 O4.692 -","4","0.5","","Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J.","Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex.","Journal of the American Chemical Society","2017","139","13","4675","4681","10.1021/jacs.6b05906","","","0.71073","MoKα","","0.0285","0.0267","","","0.0645","0.0662","","","","","","1.083","","","","has coordinates,has disorder","197288","2020-10-21","18:00:00",""
"4127751","51.236","0.005","8.7266","0.0009","9.1242","0.0009","90","","90","","90","","4079.6","0.7","200","2","200","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","x-ray","0.71073","MoKα","","0.0779","0.0546","","","0.1161","0.1297","","","","","","1.05","","","","has coordinates","220922","2020-10-21","18:00:00",""
"4128207","39.1358","0.0008","8.3463","0.0001","8.1804","0.0001","90","","90","","90","","2672.04","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Li, Lina; Liu, Xitao; Li, Yaobin; Xu, Zhiyun; Wu, Zhenyue; Han, Shiguo; Tao, Kewen; Hong, Maochun; Luo, Junhua; Sun, Zhihua","Two-Dimensional Hybrid Perovskite-Type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection.","Journal of the American Chemical Society","2019","141","6","2623","2629","10.1021/jacs.8b12948","","","0.71073","MoKα","","0.0295","0.027","","","0.0631","0.0644","","","","","","1.067","","","","has coordinates","221337","2020-10-21","18:00:00",""
"4129078","33.6194","0.0008","7.8738","0.0002","7.6832","0.0002","90","","90","","90","","2033.84","0.09","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H18 Cl4 F2 N2 Pb -","- C14 H18 Cl4 F2 N2 Pb -","- C56 H72 Cl16 F8 N8 Pb4 -","4","0.5","","Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen","Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10048","","","0.71073","MoKα","","0.0182","0.0168","","","0.037","0.0373","","","","","","1.071","","","","has coordinates","223374","2020-10-21","18:00:00",""
"4129555","5.5224","0.00009","7.5058","0.002","15.155","0.024","90","","90","","90","","628.2","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.18404","","1.22","","","","","","","has coordinates","240252","2020-10-21","18:00:00",""
"4129556","5.90617","0.00008","7.7074","0.0008","15.4587","0.0029","90","","90","","90","","703.7","0.15","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.15869","","1.27","","","","","","","has coordinates","240253","2020-10-21","18:00:00",""
"4129561","6.20057","0.00007","7.8636","0.0005","15.7606","0.002","90","","90","","90","","768.47","0.11","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13293","","0.93","","","","","","","has coordinates","240258","2020-10-21","18:00:00",""
"4129562","5.74052","0.00005","7.6003","0.0007","15.2757","0.0025","90","","90","","90","","666.47","0.13","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13894","","0.78","","","","","","","has coordinates","240259","2020-10-21","18:00:00",""
"4129563","5.79339","0.00007","7.6413","0.0006","15.345","0.004","90","","90","","90","","679.31","0.19","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.1976","","0.89","","","","","","","has coordinates","240260","2020-10-21","18:00:00",""
"4129564","5.6811","0.0015","7.5876","0.0021","15.249","0.009","90","","90","","90","","657.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.2139","","1.02","","","","","","","has coordinates","240261","2020-10-21","18:00:00",""
"4129565","6.02602","0.00007","7.7738","0.0004","15.5993","0.0019","90","","90","","90","","730.75","0.1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.112","","0.74","","","","","","","has coordinates","240262","2020-10-21","18:00:00",""
"4129569","7.361","0.005","17.49","0.011","6.466","0.004","90","","90","","90","","832.5","0.9","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 Mn N -","- C4 H8 Cl3 Mn N -","- C16 H32 Cl12 Mn4 N4 -","4","0.5","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0521","","","","","","1.07","","","","has coordinates","240266","2020-10-21","18:00:00",""
"4129809","4.5914","0.0001","27.2463","0.0005","26.7574","0.0005","90","","90","","90","","3347.31","0.11","123","2","123","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.082","0.0639","","","0.16","0.1714","","","","","","1.15","","","","has coordinates","240462","2020-10-21","18:00:00",""
"4129813","4.6216","0.0007","27.455","0.004","26.933","0.004","90","","90","","90","","3417.4","0.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.2054","0.065","","","0.103","0.1278","","","","","","0.713","","","","has coordinates","240466","2020-10-21","18:00:00",""
"4130491","18.4966","0.0004","13.0377","0.0003","19.9791","0.0005","90","","90","","90","","4818.02","0.19","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","octakis(trimethylstibine)tetrapalladium(0)","","- C24 H72 Pd4 Sb8 -","- C24 H72 Pd4 Sb8 -","- C96 H288 Pd16 Sb32 -","4","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0268","0.0246","","","0.0466","0.0474","","","","","","1.01","","","","has coordinates,has disorder","240908","2020-10-21","18:00:00",""
"4131920","7.388","0.006","19.802","0.012","9.63","0.005","90","","90","","90","","1408.8","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C8 H24 Ca Ga2 -","- C8 H24 Ca Ga2 -","- C32 H96 Ca4 Ga8 -","4","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0189","0.0172","","","0.0377","0.0384","","","","","","1.017","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4132445","38.91","0.003","8.4458","0.0005","8.342","0.0006","90","","90","","90","","2741.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.1042","0.0908","","","0.2297","0.2516","","","","","","1.038","","","","has coordinates","242427","2020-10-21","18:00:00",""
"4133869","45.5393","0.0019","8.1051","0.0003","8.0343","0.0002","90","","90","","90","","2965.46","0.18","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H32 Cl10 N4 Pb3 -","- C8 H32 Cl10 N4 Pb3 -","- C32 H128 Cl40 N16 Pb12 -","4","0.5","","Wang, Sasa; Li, Lina; Weng, Wen; Ji, Chengmin; Liu, Xitao; Sun, Zhihua; Lin, Wenxiong; Hong, Maochun; Luo, Junhua","Trilayered Lead Chloride Perovskite Ferroelectric Affording Self-Powered Visible-Blind Ultraviolet Photodetection with Large Zero-Bias Photocurrent.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10919","","","0.71073","MoKα","","0.0445","0.0375","","","0.0937","0.0991","","","","","","1.031","","","","has coordinates","246272","2020-10-21","18:00:00",""
"4133889","26.972","0.005","8.9027","0.0018","7.9566","0.0016","90","","90","","90","","1910.6","0.6","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.0376","0.0344","","","0.0612","0.062","","","","","","1.068","","","","has coordinates","246342","2020-10-21","18:00:00",""
"4133890","26.89","0.003","8.8834","0.0009","8.0708","0.0008","90","","90","","90","","1927.9","0.3","443","2","443","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Br4 N2 O2 Pb -","- C10 H24 Br4 N2 O2 Pb -","- C40 H96 Br16 N8 O8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen","Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12368","","","0.71073","MoKα","","0.1371","0.0857","","","0.2159","0.3528","","","","","","1.185","","","","has coordinates","246343","2020-10-21","18:00:00",""
"4134107","51.021","0.003","8.3783","0.0007","8.2874","0.0006","90","","90","","90","","3542.6","0.4","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H36 Br10 N4 Sn3 -","- C10 H36 Br10 N4 Sn3 -","- C40 H144 Br40 N16 Sn12 -","4","0.5","","Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua","A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.","Journal of the American Chemical Society","2020","142","3","1159","1163","10.1021/jacs.9b11341","","","0.71073","MoKα","","0.1423","0.1029","","","0.2531","0.2775","","","","","","1.103","","","","has coordinates","247485","2020-10-21","18:00:00",""
"4134198","52.0158","0.0016","8.9727","0.0003","8.9745","0.0003","90","","90","","90","","4188.6","0.2","298","2","298.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad","Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.","Journal of the American Chemical Society","2020","142","8","4008","4021","10.1021/jacs.9b13587","","","0.71073","MoKα","","0.0599","0.0444","","","0.1257","0.1425","","","","","","1.077","","","","has coordinates","248701","2020-10-21","18:00:00",""
"4134654","28.526","0.006","24.457","0.005","30.314","0.006","90","","90","","90","","21149","7","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C148 H307 N20 O138.5 Zn6 -","- C148 H104 N20 O48 Zn6 -","- C592 H416 N80 O192 Zn24 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0874","0.0614","","","0.1414","0.1616","","","","","","1.013","","","","has coordinates","250562","2020-10-21","18:00:00",""
"4134928","19.1389","0.0002","10.964","0.0001","7.0851","0.0001","90","","90","","90","","1486.73","0.03","100","2","100","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","0.5","","Torresi, Stefano; Famulari, Antonino; Marti-Rujas, Javier","Kinetically controlled fast crystallization of M12L8 poly-[n]-catenanes using the 2,4,6-tris(4-pyridyl)benzene ligand and ZnCl2 in aromatic environment.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03319","","","0.72931","Synchrotron","","0.041","0.0407","","","0.1148","0.1151","","","","","","1.122","","","","has coordinates","251915","2020-10-21","18:00:00",""
"4134992","8.5418","0.0006","26.836","0.002","10.0432","0.0006","90","","90","","90","","2302.2","0.3","343","2","343","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H24 F4 I4 N2 Pb -","- C12 H24 F4 I4 N2 Pb -","- C48 H96 F16 I16 N8 Pb4 -","4","0.5","","Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen","Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.","Journal of the American Chemical Society","2020","142","22","10212","10218","10.1021/jacs.0c03710","","","0.71073","MoKα","","0.0842","0.0706","","","0.2083","0.2233","","","","","","1.065","","","","has coordinates","257111","2020-10-21","18:00:00",""
"4135112","28.055","0.0013","7.0673","0.0006","7.8774","0.0005","90","","90","","90","","1561.88","0.18","150","","150","","","","","","","","","4","C m c 21","C 2c -2","36","2","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","0.5","","Faghani, Abbas; Gholami, Mohammad Fardin; Trunk, Matthias; Müller, Johannes; Pachfule, Pradip; Vogl, Sarah; Donskyi, Ievgen; Nickl, Philip; Shao, Jingjing; Huang, Michael R. S.; Unger, Wolfgang E. S.; Arenal, Raul; Koch, Christoph T.; Paulus, Beate; Rabe, Jürgen P; Thomas, Arne; Haag, Rainer; Adeli, Mohsen","Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02399","","","1.54184","CuKα","","0.0546","0.0468","","","0.1293","0.1376","","","","","","1.042","","","","has coordinates","254317","2020-10-21","18:00:00",""
"4300417","11.725","0.002","15.846","0.003","6.978","0.0014","90","","90","","90","","1296.5","0.4","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H17 Co N O11 -","- C7 H16 Co N O11 -","- C28 H64 Co4 N4 O44 -","4","0.5","","Yi-Long Lu; Jing-Yun Wu; Ming-Che Chan; Sheng-Ming Huang; Chia-Shiang Lin; Te-Wei Chiu; Yen-Hsiang Liu; Yuh-Sheng Wen; Chuen-Her Ueng; Tsung-Mei Chin; Chen-Hsiung Hung; Kuang-Lieh Lu","Influence of water content on the self-assembly of metal-organic frameworks based on pyridine-3,5-dicarboxylate","Inorganic Chemistry","2006","","","","","10.1021/ic0512577","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4301324","15.6132","0.0012","10.5746","0.0008","7.9019","0.0006","90","","90","","90","","1304.63","0.17","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H11 N4 Np O5 -","- C8 H8 N4 Np O5 -","- C32 H32 N16 Np4 O20 -","4","0.5","","Grigory B. Andreev; Nina A. Budantseva; Ivan G. Tananaev; Boris F. Myasoedov","Interaction of Transuranium Elements with Biologically Important Molecules: Structural and Spectroscopic Study of Np(V) Complexes with Imidazole","Inorganic Chemistry","2009","48","","1232","1235","10.1021/ic801882p","","","0.71073","MoKα","","0.0264","0.0262","","","0.0742","0.075","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301762","7.7483","0.0009","17.074","0.002","17.804","0.002","90","","90","","90","","2355.4","0.5","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H26 I2 O2 Pd3 S2 -","- C18 H26 I2 O2 Pd3 S2 -","- C72 H104 I8 O8 Pd12 S8 -","4","0.5","","Frank L. Mulligan; Dominic C. Babbini; Isaac R. Davis; Stephanie K. Hurst; Gary S. Nichol","Monomers and Polymers of Tripalladium(0) Ditropylium Halides","Inorganic Chemistry","2009","48","","2708","2710","10.1021/ic8014578","","","0.71073","MoKα","","0.0214","0.0201","","","0.0438","0.0444","","","","","","1.071","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4303050","7.8095","0.0003","22.2819","0.0007","14.0861","0.0004","90","","90","","90","","2451.13","0.14","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- Cs4 F K3 O20 Si4 U3 -","- Cs4 F K3 O20 Si4 U3 -","- Cs16 F4 K12 O80 Si16 U12 -","4","0.5","","Cheng-Shiuan Lee; Sue-Lein Wang; Yen-Hung Chen; Kwang-Hwa Lii","Flux Synthesis of Salt-Inclusion Uranyl Silicates: [K3Cs4F][(UO2)3(Si2O7)2] and [NaRb6F][(UO2)3(Si2O7)2]","Inorganic Chemistry","2009","48","","8357","8361","10.1021/ic901001n","","","0.71073","MoKα","","0.0285","0.0262","","","0.0694","0.0703","","","","","","1.114","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303794","12.8721","0.0012","10.2948","0.0009","13.4603","0.0008","90","","90","","90","","1783.7","0.3","150","1","150","1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C14 H29 B9 Fe -","- C14 H29 B9 Fe -","- C56 H116 B36 Fe4 -","4","0.5","","B. Štíbr; M. Bakardjiev; Josef Holub; Aleš Růžička; Magdalena Kvíčalová","Systematic Method for the Incorporation of the {(η6-Arene)Fe} Fragment into Carborane Cages via [(η6-Arene)Fe]2+ Dications. A Series of [3-(η6-Arene)-closo-3,1,2-FeC2B9H11] Complexes. Reliable Synthesis of Polymethylated [(η6-Arene)2Fe]2+ Cations","Inorganic Chemistry","2009","48","","10904","10906","10.1021/ic901982q","","","0.71073","MoKα","","0.0459","0.0436","","","0.1074","0.1103","","","","","","1.172","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4305633","4.4856","0.0009","29.052","0.006","13.687","0.003","90","","90","","90","","1783.6","0.6","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba2 In13 Ir4 -","- Ba2 In13 Ir4 -","- Ba8 In52 Ir16 -","4","0.5","","Andriy M. Palasyuk; John D. Corbett","BaIrIn4 and Ba2Ir4In13: Two In-Rich Polar Intermetallic Structures with Different Augmented Prismatic Environments about the Cations","Inorganic Chemistry","2008","47","","9344","9350","10.1021/ic8006124","","","0.71073","MoKα","","0.04","0.0381","","","0.0886","0.0896","","","","","","1.065","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4309399","23.3664","0.0006","18.7097","0.0006","20.0991","0.0006","90","","90","","90","","8786.9","0.4","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C32 H64 Br2 Cl2 N8 Ni2 O9 -","- C32 H62 Br2 Cl0.5 N8 Ni2 O2 -","- C256 H496 Br16 Cl4 N64 Ni16 O16 -","8","1","","Konrad T. Szacilowski; Puhui Xie; Aramice Y. S. Malkhasian; Mary Jane Heeg; Manawadevi Y. Udugala-Ganehenege; Lowell E. Wenger; John F. Endicott","Solid-State Structures and Magnetic Properties of Halide-Bridged, Face-to-Face Bis-Nickel(II)-Macrocyclic Ligand Complexes: Ligand-Mediated Interchanges of Electronic Configuration","Inorganic Chemistry","2005","44","","6019","6033","10.1021/ic050147x","","","0.71073","MoKα","","0.0448","0.0339","","","0.0911","0.0932","","","","","","1.127","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309915","8.4538","0.0011","19.04","0.0026","5.3826","0.0008","90","","90","","90","","866.4","0.2","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ba Fe2 O4 -","- Ba Fe2 O4 -","- Ba8 Fe16 O32 -","8","1","","Pavel Karen; Emmanuelle Suard; François Fauth","Crystal Structure of Stoichiometric YBa2Fe3O8","Inorganic Chemistry","2005","44","","8170","8172","10.1021/ic048746b","powder diffraction","","","","","","","","","","","","","1.92","","","","","","","has coordinates,has Fobs","179137","2020-10-21","18:00:00",""
"4310866","7.6061","0.0004","14.282","0.0007","14.184","0.0007","90","","90","","90","","1540.81","0.13","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O14 P4 Pd3 -","- Cs2 O14 P4 Pd3 -","- Cs8 O56 P16 Pd12 -","4","0.5","","Kwang-Hwa Lii; Sue-Lein Wang; Fen-Ling Liao","Cs2Pd3(P2O7)2 and Cs2Pd3(As2O7)2: A 3D Palladium Phosphate with a Tunnel Structure and a 2D Palladium Arsenate Containing Strings of Palladium Atoms","Inorganic Chemistry","2004","43","","2499","2502","10.1021/ic035438p","","","0.71073","MoKα","","0.0229","0.0228","","","0.0543","0.0544","","","","","","1.111","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311594","16.891","0.003","6.3013","0.0008","8.3266","0.0013","90","","90","","90","","886.2","0.2","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Au2 O10 Se3 -","- Au2 O10 Se3 -","- Au8 O40 Se12 -","4","0.5","","Mathias S. Wickleder; Oliver Büchner; Claudia Wickleder; Sherif el Sheik; Gunther Brunklaus; Hellmut Eckert","Au2(SeO3)2(SeO4): Synthesis and Characterization of a New Noncentrosymmetric Selenite-Selenate","Inorganic Chemistry","2004","43","","5860","5864","10.1021/ic049270z","","","0.71073","MoKα","","0.0452","0.0362","","0.0873","0.0838","","","","0.986","1.044","1.044","","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4313130","20.5433","0.0009","13.8799","0.0006","18.5911","0.0008","90","","90","","90","","5301","0.4","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H30 Ge3 O12 Ru5 -","- C49 H30 Ge3 O12 Ru5 -","- C196 H120 Ge12 O48 Ru20 -","4","0.5","","Richard D. Adams; Burjor Captain; Wei Fu","Germanium-Rich Pentaruthenium Carbonyl Clusters Including Ru5(CO)11(μ-GePh2)4(μ5-C) and Its Reactions with Hydrogen","Inorganic Chemistry","2003","42","","1328","1333","10.1021/ic020655w","","","0.71073","MoKα","","0.0394","0.0319","","","0.0649","0.0683","","","","","","1.028","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4315014","26.6753","0.0016","15.5727","0.0016","7.1782","0.0005","90","","90","","90","","2981.9","0.4","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H8 Na0.5 O5 Yb0.5 -","- C14 H8 Na0.5 O5 Yb0.5 -","- C112 H64 Na4 O40 Yb4 -","8","1","","You-Wen Lin; Bo-Ren Jian; Sin-Chiang Huang; Chin-Her Huang; Kuei-Fang Hsu","Synthesis and Characterization of Three Ytterbium Coordination Polymers Featuring Various Cationic Species and a Luminescence Study of a Terbium Analogue With Open Channels","Inorganic Chemistry","2010","49","","2316","2324","10.1021/ic9021992","","","0.71073","MoKα","","0.0539","0.0508","","","0.1529","0.1577","","","","","","1.029","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315015","26.9201","0.0013","15.1196","0.0005","7.2696","0.0003","90","","90","","90","","2958.9","0.2","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H8 Na0.5 O5 Tb0.5 -","- C14 H8 Na0.5 O5 Tb0.5 -","- C112 H64 Na4 O40 Tb4 -","8","1","","You-Wen Lin; Bo-Ren Jian; Sin-Chiang Huang; Chin-Her Huang; Kuei-Fang Hsu","Synthesis and Characterization of Three Ytterbium Coordination Polymers Featuring Various Cationic Species and a Luminescence Study of a Terbium Analogue With Open Channels","Inorganic Chemistry","2010","49","","2316","2324","10.1021/ic9021992","","","0.71073","MoKα","","0.0551","0.0515","","","0.1579","0.1629","","","","","","1.178","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315016","26.6753","0.0016","15.5727","0.0016","7.1782","0.0005","90","","90","","90","","2981.9","0.4","220","2","220","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H8 Na0.5 O5 Yb0.5 -","- C14 H8 Na0.5 O5.5 Yb0.5 -","- C112 H64 Na4 O44 Yb4 -","8","1","","You-Wen Lin; Bo-Ren Jian; Sin-Chiang Huang; Chin-Her Huang; Kuei-Fang Hsu","Synthesis and Characterization of Three Ytterbium Coordination Polymers Featuring Various Cationic Species and a Luminescence Study of a Terbium Analogue With Open Channels","Inorganic Chemistry","2010","49","","2316","2324","10.1021/ic9021992","","","0.71073","MoKα","","0.0699","0.0567","","","0.1467","0.1545","","","","","","1.115","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315129","37.99","0.008","10.022","0.002","8.3093","0.0017","90","","90","","90","","3163.6","1.1","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H13 Ga3 O13 P4 -","- C6 H12 Ga3 O13 P4 -","- C48 H96 Ga24 O104 P32 -","8","1","","Martin P. Attfield; Zhanhui Yuan; Howard G. Harvey; William Clegg","Structural Variety within Gallium Diphosphonates Affected by the Organic Linker Length","Inorganic Chemistry","2010","49","","2656","2666","10.1021/ic901651d","","","0.71073","MoKα","","0.0696","0.0495","","","0.0899","0.0962","","","","","","1.059","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315247","21.534","0.003","20.3912","0.0019","8.1228","0.001","90","","90","","90","","3566.8","0.7","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C32 H39 B2 Cl N8 O3 Zn -","- C32 H39 B2 Cl N8 O3 Zn -","- C128 H156 B8 Cl4 N32 O12 Zn4 -","4","0.5","","Elena V. Mutseneck; Susanne Bieller; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates","Inorganic Chemistry","2010","49","","3540","3552","10.1021/ic100104t","","","0.71073","MoKα","","0.1018","0.0706","","","0.1261","0.1368","","","","","","1.079","","","","has coordinates,has disorder","179232","2020-10-21","18:00:00",""
"4316709","10.3417","0.0012","33.579","0.004","13.4148","0.0015","90","","90","","90","","4658.5","0.9","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H13 Cd3 Cl N16 -","- C12 H13 Cd3 Cl N16 -","- C96 H104 Cd24 Cl8 N128 -","8","1","","Gang Wei; Yu-Feng Shen; Yong-Ru Li; Xiao-Chun Huang","Synthesis, Crystal Structure, and Photoluminescent Properties of Ternary Cd(II)/Triazolate/Chloride System","Inorganic Chemistry","2010","49","","9191","9199","10.1021/ic100610t","","","0.71073","MoKα","","0.0229","0.0217","","","0.0573","0.0608","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316780","17.0504","0.0011","24.7463","0.0017","15.1602","0.0009","90","","90","","90","","6396.6","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C72 H68 Li2 O7 -","- C72 H68 Li2 O7 -","- C288 H272 Li8 O28 -","4","0.5","","Yong Huang; Yueh-Hsuan Tsai; Wen-Chou Hung; Chieh-Shen Lin; Wei Wang; Jui-Hsien Huang; Saikat Dutta; Chu-Chieh Lin","Synthesis and Structural Studies of Lithium and Sodium Complexes with OOO-Tridentate Bis(phenolate) Ligands: Effective Catalysts for the Ring-Opening Polymerization of l-Lactide","Inorganic Chemistry","2010","49","","9416","9425","10.1021/ic1011154","","","0.71073","MoKα","","0.0681","0.0527","","","0.1399","0.1519","","","","","","1.054","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4317041","4.5351","0.0009","26.824","0.005","7.4641","0.0015","90","","90","","90","","908","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Au3 In5 Yb2 -","- Au3 In5 Yb2 -","- Au12 In20 Yb8 -","4","0.5","","C. Peter Sebastian; James Salvador; Joshua B. Martin; Mercouri G. Kanatzidis","New Intermetallics YbAu2In4 and Yb2Au3In5","Inorganic Chemistry","2010","49","","10468","10474","10.1021/ic101502e","","","0.71073","MoKα","","0.0406","0.0404","","","0.1143","0.1144","","","","","","1.126","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317896","10.129","0.002","25.208","0.005","13.884","0.003","90","","90","","90","","3545","1.3","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","KBa2InAs3","","","- As3 Ba2 In K -","- As3 Ba1.976 In K1.024 -","- As48 Ba31.616 In16 K16.384 -","16","2","","Franck Gascoin; Slavi C. Sevov","KBa2InAs3 with Coexisting Monomers of [In2As7]13- and Their One-Dimensional Polymers","Inorganic Chemistry","2002","41","","2292","2295","10.1021/ic011261s","","","0.71073","MoKα","","0.0571","0.0463","","","0.1177","0.1243","","","","","","1.062","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317940","29.462","0.003","14.386","0.002","17.546","0.002","90","","90","","90","","7436.7","1.5","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C18 H22 B N6 O3 Re S2 -","- C18 H22 B N6 O3 Re S2 -","- C216 H264 B12 N72 O36 Re12 S24 -","12","1.5","","Raquel Garcia; Ângela Domingos; António Paulo; Isabel Santos; Roger Alberto","Reactivity of [Re{κ3-H(μ-H)B(timMe)2}(CO)3] (timMe= 2-Mercapto-1-methylimidazolyl) toward Neutral Substrates","Inorganic Chemistry","2002","41","","2422","2428","10.1021/ic011171n","","","0.71073","MoKα","","0.1402","0.0652","","0.1496","0.0971","","","","1.083","1.178","1.178","","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318135","23.565","0.005","14.253","0.003","22.849","0.005","90","","90","","90","","7674","3","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C35.5 H51 Cl2 Fe N4 S2 -","- C35.5 H51 Cl2 Fe N4 S2 -","- C284 H408 Cl16 Fe8 N32 S16 -","8","1","","Ming Li; Didier Bonnet; Eckhard Bill; Frank Neese; Thomas Weyhermüller; Nicole Blum; Dieter Sellmann; Karl Wieghardt","Tuning the Electronic Structure of Octahedral Iron Complexes [FeL(X)] (L=1-Alkyl-4,7-bis(4-tert-butyl-2-mercaptobenzyl)- 1,4,7-triazacyclononane, X = Cl, CH3O, CN, NO). The S=1/2 \λeftarrow →S=3/2 Spin Equilibrium of [FeLPr(NO)]","Inorganic Chemistry","2002","41","","3444","3456","10.1021/ic011243a","","","0.71073","MoKα","","0.1269","0.0864","","0.2508","0.2164","","","","1.034","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4319423","9.5806","0.0013","11.3247","0.0014","9.9447","0.001","90","","90","","90","","1079","0.2","200","3","200","3","","","","","","","provided by W. Fraenck","3","C m c 21","C 2c -2","36","pip_az","tetramethylpiperidinium azide","","- C4.5 H10 N2 -","- C4.5 H10 N2 -","- C36 H80 N16 -","8","1","","Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold","Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts","Inorganic Chemistry","2001","40","","1334","1340","10.1021/ic001119b","","","0.71073","MoKα","","0.0446","0.0295","","","0.0585","0.0622","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319907","21.6069","0.0003","15.769","0.001","24.4792","0.0004","90","","90","","90","","8340.5","0.6","173.2","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C60 H72 Cl16 Na3 O27 Ru2 -","- C60 Cl16 Na3 O27 Ru2 -","- C240 Cl64 Na12 O108 Ru8 -","4","0.5","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0975","","","","0.1028","","","","","","2.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319988","16.1983","0.0008","12.2557","0.0007","8.8952","0.0005","90","","90","","90","","1765.89","0.17","188","2","188","2","","","","","","","","5","C m c 21","C 2c -2","36","[Co(NO)(TC-3,3)]","","","- C20 H22 Co N5 O -","- C20 H22 Co N5 O -","- C80 H88 Co4 N20 O4 -","4","0.5","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71073","MoKα","","0.0444","0.0357","","","0.0746","0.0791","","","","","","0.979","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320093","9.293","0.006","12.456","0.007","11.548","0.008","90","","90","","90","","1336.7","1.5","171","2","171","2","","","","","","","","5","C m c 21","C 2c -2","36","methylated trifluoromethyl-methyl ether","trifluoromethyl-dimethyl-oxonium undecafluorodiantimonate","","- C3 H6 F14 O Sb2 -","- C3 H6 F14 O Sb2 -","- C12 H24 F56 O4 Sb8 -","4","0.5","","Rolf Minkwitz; Stefan Reinemann; Raphael Seelbinder; Detlef Konikowski; Hans Hartl; Irene Brüdgam; Joachim Hegge; Berthold Hoge; Jeffrey A. Sheehy; Karl O. Christe","Synthesis and Characterization of the First Examples of Perfluoroalkyl-Substituted Trialkyloxonium Salts, [(CH3)2OCF3]+[Sb2F11]- and [(CH3)2OCF(CF3)2]+[Sb2F11]-","Inorganic Chemistry","2001","40","","4404","4408","10.1021/ic010239w","","","0.71073","MoKα","","0.0231","0.0225","","","0.062","0.0624","","","","","","1.089","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320375","15.8165","0.0009","13.1367","0.0007","12.9107","0.0007","90","","90","","90","","2682.5","0.3","203","","203","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C20 H31 Cl Cu F6 N5 O3 P -","- C20 H31 Cl Cu F6 N5 O3 P -","- C80 H124 Cl4 Cu4 F24 N20 O12 P4 -","4","0.5","","Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo","Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides","Inorganic Chemistry","2001","40","22","5518","5525","10.1021/ic0102384","","","0.71073","MoKα","","0.0253","0.0242","","","0.0649","0.0656","","","","","","1.024","","","","has coordinates","210310","2020-10-21","18:00:00",""
"4320918","9.9389","","16.8687","","11.0549","","90","","90","","90","","1853.42","","298","","25","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C11 H20 Cd N4 Se3 -","- C15 Cd N4 Se3 -","- C60 Cd4 N16 Se12 -","4","0.5","","Hong Zhang; David E. Zelmon; Gary E. Price; Boon K. Teo","Wide Spectral Range Nonlinear Optical Crystals of One-Dimensional Coordination Solids [Et4N][Cd(SCN)3] and [Et4N][Cd(SeCN)3] and the General Design Criteria for [R4N][Cd(XCN)3] (Where R = Alkyl and X = S, Se, Te) as NLO Crystals","Inorganic Chemistry","2000","39","","1868","1873","10.1021/ic9912833","","","0.7109","MoKalpha","","","0.048","","","0.063","","","","","3.24","3.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320994","17.164","0.002","8.627","0.0006","8.814","0.0014","90","","90","","90","","1305.1","0.3","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Al2 O12 P3 Rb3 -","- Al2 O12 P3 Rb3 -","- Al8 O48 P12 Rb12 -","4","0.5","","R. Nandini Devi; K. Vidyasagar","Solid-State Synthesis and Characterization of Novel Aluminophosphates, A3Al2P3O12 (A = Na, K, Rb, Tl): Influence of A+ Ions on the Coordination of Aluminum","Inorganic Chemistry","2000","39","","2391","2396","10.1021/ic991395u","","","0.71073","MoKα","","0.0314","0.029","","0.0733","0.0712","","","","1.122","1.118","1.118","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321019","7.895","0.002","16.204","0.003","5.1982","0.001","90","","90","","90","","665","0.2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- F5 O4 Tc Xe -","- F5 O4 Tc Xe -","- F20 O16 Tc4 Xe4 -","4","0.5","","Nicolas LeBlond; David A. Dixon; Gary J. Schrobilgen","Fluoride Ion Donor Properties of TcO2F3 and ReO2F3: X-ray Crystal Structures of MO2F3.SbF5 (M = Tc, Re) and TcO2F3.XeO2F2 and Raman and NMR Spectroscopic Characterization of MO2F3.PnF5 (Pn = As, Sb), [ReO2F2(CH3CN)2][SbF6], and [Re2O4F5][Sb2F11]","Inorganic Chemistry","2000","39","","2473","2487","10.1021/ic9908221","","","0.56086","AgKα","","0.0422","0.0351","","0.0822","0.0807","","","","1.013","1.067","1.067","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321260","14.266","0.0015","24.513","0.001","7.201","0.002","90","","90","","90","","2518.2","0.8","150","2","150","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C12 H28 F12 N4 O4 U3 -","- C12 H28 F12 N4 O4 U3 -","- C48 H112 F48 N16 O16 U12 -","4","0.5","","Simon Allen; Stephen Barlow; P. Shiv Halasyamani; J. Frederick W. Mosselmans; Dermot O'Hare; Susan M. Walker; Richard I. Walton","Hydrothermal Synthesis of (C6N2H14)2(UVI2UIVO4F12), a Mixed-Valent One-Dimensional Uranium Oxyfluoride","Inorganic Chemistry","2000","39","","3791","3798","10.1021/ic000193r","","x-ray","0.71073","MoKα","","0.0521","0.0518","","0.1109","0.1093","","","","1.274","1.274","1.274","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321664","13.9735","0.001","11.9079","0.0004","8.4183","0.0005","90","","90","","90","","1400.76","0.14","293","2","293","2","","","","","","","synthesis by authors","5","C m c 21","C 2c -2","36","","","","- C10 H17 Cl4 Mo O -","- C10 H17 Cl4 Mo O -","- C40 H68 Cl16 Mo4 O4 -","4","0.5","","P. Schollhammer; F. Y. Pétillon; J. Talarmin; K. W. Muir; H. K. Fun; K. Chinnakali","Halogenation and Alkylation at a MoIII2(μ-S) Site. Crystal Structure of the Metal-Sulfenyl Halide Complex [Mo2(η5-C5Me5)2(μ-SMe)2(μ-SI)(CO)2]I5","Inorganic Chemistry","2000","39","","5879","5882","10.1021/ic000591u","","","0.71073","MoKα","","0.0422","0.0334","","0.0837","0.0788","","","","1.003","0.995","0.995","","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321709","4.17","0.0003","26.3485","0.0017","23.6092","0.0015","90","","90","","90","","2594","0.3","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cl Cr Tb8 Te13 -","- Cl Cr Tb8 Te13 -","- Cl4 Cr4 Tb32 Te52 -","4","0.5","","Olivier Tougait; James A. Ibers","New Series CrLn8Te13Cl (Ln = Sm, Gd, Tb): Pseudo-Misfit-Layer Compounds","Inorganic Chemistry","2000","39","","6136","6138","10.1021/ic000817t","","","0.71073","MoKα","","0.0271","0.0261","","","0.0641","0.0646","","","","","","1.209","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321710","4.2281","0.0007","26.575","0.004","23.829","0.004","90","","90","","90","","2677.5","0.7","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cl Cr Sm8 Te13 -","- Cl Cr Sm8 Te13 -","- Cl4 Cr4 Sm32 Te52 -","4","0.5","","Olivier Tougait; James A. Ibers","New Series CrLn8Te13Cl (Ln = Sm, Gd, Tb): Pseudo-Misfit-Layer Compounds","Inorganic Chemistry","2000","39","","6136","6138","10.1021/ic000817t","","","0.71073","MoKα","","0.0303","0.026","","","0.0599","0.0623","","","","","","1.001","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321711","4.1923","0.0005","26.464","0.003","23.73","0.003","90","","90","","90","","2632.7","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cl Cr Gd8 Te13 -","- Cl Cr Gd8 Te13 -","- Cl4 Cr4 Gd32 Te52 -","4","0.5","","Olivier Tougait; James A. Ibers","New Series CrLn8Te13Cl (Ln = Sm, Gd, Tb): Pseudo-Misfit-Layer Compounds","Inorganic Chemistry","2000","39","","6136","6138","10.1021/ic000817t","","","0.71073","MoKα","","0.0243","0.0237","","","0.0588","0.0591","","","","","","1.05","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321814","11.889","0.004","33.38","0.008","9.012","0.003","90","","90","","90","","3576.5","1.9","297","","297","","","","","","","","synthesis","4","C m c 21","C 2c -2","36","","N,N,N',N'-tetramethylethylenediamine/copper(I) cyanide complex","","- C8 H16 Cu2 N4 -","- C8 H16 Cu2 N4 -","- C96 H192 Cu24 N48 -","12","1.5","","Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton","Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines","Inorganic Chemistry","1999","38","","984","991","10.1021/ic970226b","","","0.71073","MoKalpha","","","0.068","","","0.057","","","","","1.4","1.4","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4322871","16.121","0.005","21.492","0.005","17.156","0.004","90","","90","","90","","5944","3","296.2","","296.2","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C49 H90 B F3 N8 O8 Ru S -","- C43.5 H86 B0.5 F2.5 N6 O7.5 Ru0.5 S0.5 -","- C174 H344 B2 F10 N24 O30 Ru2 S2 -","4","0.5","","Yoshiaki Takahashi; Munetaka Akita; Shiro Hikichi; Yoshihiko Moro-oka","Synthesis of Various Cationic Ruthenium-Aqua Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPrRu(OH2)n(L)3-n.(CF3SO3)(THF)x, and Their Structures Supported by Hydrogen-Bonding Networks1","Inorganic Chemistry","1998","37","","3186","3194","10.1021/ic9801802","","","0.7107","MoKα","","","0.0524","","","0.0338","","","","","2.282","2.282","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324923","4.0892","0.0012","11.205","0.003","6.0175","0.0017","90","","90","","90","","275.72","0.13","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","RbOH(H2O)","","- H3 O2 Rb -","- O2 Rb -","- O8 Rb4 -","4","0.5","","Veronika Hoepfner; Richard Dronskowski","RbCN3H4: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds","Inorganic Chemistry","2011","50","","3799","3803","10.1021/ic2002089","powder diffraction","","","","","","","","","","","","16.3981","","","","","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325098","15.512","0.0006","13.7953","0.0005","13.0199","0.0004","90","","90","","90","","2786.16","0.17","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C4 H16 N2 O27 P4 U5 -","- C4 N2 O27 P4 U5 -","- C16 N8 O108 P16 U20 -","4","0.5","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0485","0.0368","","","0.0355","0.0374","","","","1.2","1.2","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325099","15.52","0.002","13.89","0.002","13.0769","0.0019","90","","90","","90","","2819","0.7","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H18 N2 O27 P4 U5 -","- C5 N2 O27 P4 U5 -","- C20 N8 O108 P16 U20 -","4","0.5","","Laurent Jouffret; Murielle Rivenet; Francis Abraham","Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine","Inorganic Chemistry","2011","50","","4619","4626","10.1021/ic200345j","","","0.71069","MoKα","","0.0322","0.0267","","","0.0258","0.0263","","","","1.4","1.4","1.35","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325414","4.2535","0.0017","18.252","0.007","12.685","0.005","90","","90","","90","","984.8","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Bi In S5 -","- Ba2 Bi In S5 -","- Ba8 Bi4 In4 S20 -","4","0.5","","Lei Geng; Wen-Dan Cheng; Chen-Sheng Lin; Wei-Long Zhang; Hao Zhang; Zhang-Zhen He","Syntheses and Characterization of new Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5","Inorganic Chemistry","2011","50","","5679","5686","10.1021/ic2004358","","","0.71073","MoKα","","0.038","0.0361","","","0.0773","0.0778","","","","","","1.019","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325543","7.2717","0.0003","16.3061","0.0007","13.4983","0.0006","90","","90","","90","","1600.53","0.12","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Si6 U -","- Cs2 O15 Si6 U -","- Cs8 O60 Si24 U4 -","4","0.5","","Hsin-Kuan Liu; Kwang-Hwa Lii","Cs2USi6O15: A Tetravalent Uranium Silicate","Inorganic Chemistry","2011","50","","5870","5872","10.1021/ic200771p","","","0.71073","MoKα","","0.0251","0.0225","","","0.0441","0.0447","","","","","","1.073","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4326001","4.2066","0.0005","16.12","0.002","7.0639","0.0009","90","","90","","90","","479.01","0.1","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca2 Cd P2 -","- Ca2 Cd P2 -","- Ca8 Cd4 P8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0166","0.0152","","","0.0278","0.0282","","","","","","1.061","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326002","4.3163","0.0005","16.5063","0.0019","7.1418","0.0008","90","","90","","90","","508.83","0.1","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Ca2 Cd -","- As2 Ca2 Cd -","- As8 Ca8 Cd4 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0175","0.0165","","","0.029","0.0292","","","","","","0.993","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326004","4.4459","0.0007","16.904","0.003","7.5885","0.0011","90","","90","","90","","570.3","0.16","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Cd Sr2 -","- As2 Cd Sr2 -","- As8 Cd4 Sr8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.027","0.0238","","","0.0404","0.0414","","","","","","0.952","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326005","4.5922","0.0005","17.4047","0.0018","8.0526","0.0008","90","","90","","90","","643.61","0.12","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Ba2 Cd -","- As2 Ba2 Cd -","- As8 Ba8 Cd4 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0198","0.0184","","","0.0361","0.0365","","","","","","1.05","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326006","4.4418","0.0009","16.847","0.004","7.4985","0.0016","90","","90","","90","","561.1","0.2","150","2","150","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- As2 Cd Eu2 -","- As2 Cd Eu2 -","- As8 Cd4 Eu8 -","4","0.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0215","0.0203","","","0.0404","0.0407","","","","","","1.037","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4327185","17.696","0.007","5.806","0.002","11.419","0.004","90","","90","","90","","1173.2","0.7","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ga2 Ge La2 S8 -","- Ga2 Ge La2 S8 -","- Ga8 Ge4 La8 S32 -","4","0.5","","Mei-Chun Chen; Peng Li; Liu-Jiang Zhou; Long-Hua Li; Ling Chen","Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared","Inorganic Chemistry","2011","50","","12402","12404","10.1021/ic2020513","","","0.71073","MoKα","","0.0233","0.0213","","","0.0506","0.0805","","","","","","1.042","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327324","25.9274","0.0014","19.6851","0.001","21.1978","0.0012","90","","90","","90","","10819","1","218","2","218","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C79 H140 Mn9 O39 -","- C73 H110 Mn9 O37 -","- C292 H440 Mn36 O148 -","4","0.5","","Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou","New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate","Inorganic Chemistry","2005","44","","4555","4567","10.1021/ic050201+","","","0.71073","MoKα","","0.0771","0.0659","","","0.1805","0.1897","","","","","","1.034","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327756","4.503","0.0007","20.085","0.003","16.207","0.003","90","","90","","90","","1465.8","0.4","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ge6 La4 Mg5 -","- Ge6 La4 Mg5 -","- Ge24 La16 Mg20 -","4","0.5","","Pavlo Solokha; Serena De Negri; Monika Skrobanska; Adriana Saccone; Volodymyr Pavlyuk; Davide M. Proserpio","New Ternary Germanides La4Mg5Ge6 and La4Mg7Ge6: Crystal Structure and Chemical Bonding","Inorganic Chemistry","2012","51","","207","214","10.1021/ic2014732","","","0.71073","MoKα","","0.0202","0.0192","","","0.0451","0.0455","","","","","","1.071","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4328084","15.7674","0.0004","13.5858","0.0003","11.1092","0.0003","90","","90","","90","","2379.73","0.1","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","NCr(NiPr2)2(OAd)","","","- C22 H42 Cr N3 O -","- C21.5 H42 Cr N3 O0.5 -","- C86 H168 Cr4 N12 O2 -","4","0.5","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.1103","0.091","","","0.1967","0.21","","","","","","1.146","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328606","23.2837","0.0005","13.216","0.0003","16.778","0.0003","90","","90","","90","","5162.88","0.19","153","2","153","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H11 Cl5 Ga P5 -","- C6 H11 Cl5 Ga P5 -","- C72 H132 Cl60 Ga12 P60 -","12","1.5","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0535","0.0373","","","0.0657","0.0717","","","","","","0.995","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4329518","4.2519","0.0009","18.74","0.004","13.271","0.003","90","","90","","90","","1057.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Se5 Y -","- Ba2 In Se5 Y -","- Ba8 In4 Se20 Y4 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0226","0.0211","","","0.0413","0.0417","","","","","","0.88","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329519","4.298","0.0009","18.807","0.004","13.227","0.003","90","","90","","90","","1069.2","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Nd Se5 -","- Ba2 In Nd Se5 -","- Ba8 In4 Nd4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0387","0.0324","","","0.0666","0.0699","","","","","","0.824","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329520","4.2868","0.0009","18.805","0.004","13.25","0.003","90","","90","","90","","1068.1","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Se5 Sm -","- Ba2 In Se5 Sm -","- Ba8 In4 Se20 Sm4 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0287","0.0264","","","0.0622","0.0628","","","","","","1.095","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329521","4.2695","0.0009","18.79","0.004","13.269","0.003","90","","90","","90","","1064.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Gd In Se5 -","- Ba2 Gd In Se5 -","- Ba8 Gd4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0326","0.0309","","","0.0651","0.0655","","","","","","0.97","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329522","4.2529","0.0009","18.726","0.004","13.258","0.003","90","","90","","90","","1055.9","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy In Se5 -","- Ba2 Dy In Se5 -","- Ba8 Dy4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.028","0.0251","","","0.0576","0.0586","","","","","","0.906","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329523","4.2345","0.0008","18.723","0.004","13.255","0.003","90","","90","","90","","1050.9","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er In Se5 -","- Ba2 Er In Se5 -","- Ba8 Er4 In4 Se20 -","4","0.5","","Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)","Inorganic Chemistry","2012","51","","6860","6867","10.1021/ic300604a","","","0.71073","MoKα","","0.0417","0.0375","","","0.0805","0.0824","","","","","","0.758","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4330637","10.196","0.004","8.487","0.006","7.388","0.002","90","","90","","90","","639.3","0.5","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Cu5.143 In2 Sb2 -","- Cu5.143 In2 Sb2 -","- Cu20.572 In8 Sb8 -","4","0.5","","Carola J. Müller; Sven Lidin; Susana Ramos de Debiaggi; Crispulo E. Deluque Toro; Armando Fernández Guillermet","Synthesis, Structural Characterization, and Ab Initio Study of Cu5+δIn2+xSb2-x: A New B8-Related Structure Type","Inorganic Chemistry","2012","51","","10787","10792","10.1021/ic3011794","","x-ray","0.7107","MoKα","","0.0901","0.0602","","","0.0581","0.063","","","","1.77","1.77","1.59","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330686","14.6152","0.0012","14.024","0.0011","14.7774","0.0012","90","","90","","90","","3028.8","0.4","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","(Et4N)[Cu(pyN2Me2)OH]","","","- C31 H42 Cu N4 O3 -","- C31 H22 Cu N4 O3 -","- C124 H88 Cu4 N16 O12 -","4","0.5","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0419","0.0391","","","0.1057","0.1101","","","","","","1.073","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330818","18.6688","0.0011","17.9109","0.001","9.4926","0.0006","90","","90","","90","","3174.1","0.3","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H9.5 Ag0.25 O14.25 P2 U1.5 -","- C2 H4 Ag0.25 O14.25 P2 U1.5 -","- C16 H32 Ag2 O114 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0529","0.0486","","","0.1399","0.1438","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330824","18.5715","0.0014","17.9278","0.0013","9.5221","0.0007","90","","90","","90","","3170.3","0.4","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C2 H9 O13.5 P2 U1.5 -","- C2 H4 O13.5 P2 U1.5 -","- C16 H32 O108 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0372","0.0339","","","0.0977","0.107","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330825","18.5849","0.0015","17.9529","0.0014","9.5115","0.0007","90","","90","","90","","3173.5","0.4","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H6 Na O12.5 P2 U1.5 -","- C2 H4 Na O12.5 P2 U1.5 -","- C16 H32 Na8 O100 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0407","0.0362","","","0.0989","0.1018","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330826","18.4365","0.0011","17.9175","0.001","9.5296","0.0006","90","","90","","90","","3148","0.3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H7.66 K0.48 O13.33 P2 U1.5 -","- C2 H4 K0.48 O14.04 P2 U1.5 -","- C16 H32 K3.84 O112.32 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.039","0.0349","","","0.0937","0.0962","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330827","18.663","0.0013","17.8829","0.0012","9.533","0.0007","90","","90","","90","","3181.6","0.4","273","2","273","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C2 H7.45 Cs0.14 O13.23 P2 U1.5 -","- C2 H4 Cs0.137 O13.225 P2 U1.5 -","- C16 H32 Cs1.096 O105.8 P16 U12 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0442","0.039","","","0.1061","0.1167","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330894","4.5137","0.0009","20.087","0.004","14.093","0.003","90","","90","","90","","1277.8","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Te5 Y -","- Ba2 In Te5 Y -","- Ba8 In4 Te20 Y4 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0334","0.0311","","","0.0568","0.0581","","","","","","0.835","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330897","4.4638","0.0001","20.0925","0.0005","14.0899","0.0003","90","","90","","90","","1263.71","0.05","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy Ga Te5 -","- Ba2 Dy Ga Te5 -","- Ba8 Dy4 Ga4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0361","0.0328","","","0.0575","0.0591","","","","","","1.03","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330898","4.4404","0.0009","20.001","0.004","14.034","0.003","90","","90","","90","","1246.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er Ga Te5 -","- Ba2 Er Ga Te5 -","- Ba8 Er4 Ga4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.027","0.0266","","","0.0633","0.0635","","","","","","1.289","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330899","4.4412","0.0009","20.035","0.004","14.053","0.003","90","","90","","90","","1250.4","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Ga Te5 Y -","- Ba2 Ga Te5 Y -","- Ba8 Ga4 Te20 Y4 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0355","0.035","","","0.0888","0.089","","","","","","1.421","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330900","4.5781","0.0009","20.292","0.004","14.079","0.003","90","","90","","90","","1307.9","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Ce In Te5 -","- Ba2 Ce In Te5 -","- Ba8 Ce4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0405","0.0351","","","0.0615","0.0629","","","","","","1.053","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330901","4.5579","0.0009","20.194","0.004","14.104","0.003","90","","90","","90","","1298.2","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Nd Te5 -","- Ba2 In Nd Te5 -","- Ba8 In4 Nd4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0384","0.0356","","","0.0677","0.0687","","","","","","1.005","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330902","4.5349","0.0009","20.151","0.004","14.086","0.003","90","","90","","90","","1287.2","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Sm Te5 -","- Ba2 In Sm Te5 -","- Ba8 In4 Sm4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0319","0.0302","","","0.0618","0.0624","","","","","","0.876","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330903","4.5014","0.0009","20.064","0.004","14.078","0.003","90","","90","","90","","1271.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Gd In Te5 -","- Ba2 Gd In Te5 -","- Ba8 Gd4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.0344","0.0318","","","0.0689","0.0698","","","","","","1.062","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330904","4.5198","0.0009","20.065","0.004","14.089","0.003","90","","90","","90","","1277.7","0.5","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Dy In Te5 -","- Ba2 Dy In Te5 -","- Ba8 Dy4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.032","0.0298","","","0.0596","0.0601","","","","","","0.999","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330905","4.4998","0.0009","20.07","0.004","14.079","0.003","90","","90","","90","","1271.5","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Er In Te5 -","- Ba2 Er In Te5 -","- Ba8 Er4 In4 Te20 -","4","0.5","","Wenlong Yin; Wendong Wang; Lei Bai; Kai Feng; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu","Syntheses, Structures, Physical Properties, and Electronic Structures of Ba2MLnTe5 (M = Ga and Ln = Sm, Gd, Dy, Er, Y; M = In and Ln = Ce, Nd, Sm, Gd, Dy, Er, Y)","Inorganic Chemistry","2012","51","","11736","11744","10.1021/ic301655e","","","0.71073","MoKα","","0.029","0.0275","","","0.0538","0.0541","","","","","","0.943","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4331380","6.7034","0.0012","5.9235","0.0013","8.292","0.0017","90","","90","","90","","329.26","0.12","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","AMMONIA MONOCHLOROBORANE","","","- B Cl H5 N -","- B Cl H5 N -","- B4 Cl4 H20 N4 -","4","0.5","","Hima K. Lingam; Cong Wang; Judith C. Gallucci; Xuenian Chen; Sheldon G. Shore","New Syntheses and Structural Characterization of NH3BH2Cl and (BH2NH2)3 and Thermal Decomposition Behavior of NH3BH2Cl","Inorganic Chemistry","2012","51","","13430","13436","10.1021/ic302308v","","","0.71073","MoKα","","0.0279","0.023","","","0.0427","0.0442","","","","","","1.095","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4332154","38.858","0.007","7.144","0.001","13.278","0.003","90","","90","","90","","3686","1.2","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C22 H12 Br4 Fe O2 S12 Se4 -","- C22 H12 Br4 Fe O2 S12 Se4 -","- C88 H48 Br16 Fe4 O8 S48 Se16 -","4","0.5","","Fujiwara, Hideki; Hayashi, Toshiki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Li, Lin; Yokogawa, Keiichi; Yasuzuka, Syuma; Murata, Keizo; Mori, Takehiko","Magnetoresistance Effects Evidencing the π−d Interaction in Metallic Organic Conductors, (EDT-DSDTFVO)2•MX4(M = Fe, Ga; X = Cl, Br)","Inorganic Chemistry","2006","45","15","5712","5714","10.1021/ic060034t","","","0.7107","MoKα","","0.0662","0.0542","","","0.1452","0.157","","","","","","0.992","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4332773","6.4361","0.0011","13.337","0.002","19.6","0.003","90","","90","","90","","1682.4","0.5","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H11 Au Cl N5 Pt -","- C17 H11 Au Cl N5 Pt -","- C68 H44 Au4 Cl4 N20 Pt4 -","4","0.5","","Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.","Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions","Inorganic Chemistry","2006","45","16","6120","6122","10.1021/ic060830z","","","0.71073","MoKα","","0.0278","0.0272","","","0.0622","0.0625","","","","","","1.105","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4334425","12.3248","0.0006","17.1869","0.0006","19.2754","0.0007","90","","90","","90","","4083","0.3","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C34 H40 Cu F6 N4 O8 S2 -","- C34 H40 Cu F6 N4 O8 S2 -","- C136 H160 Cu4 F24 N16 O32 S8 -","4","0.5","","Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura","Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand","Inorganic Chemistry","2013","52","","4229","4237","10.1021/ic301949n","","","0.71075","MoKα","","0.0466","0.0452","","","0.1255","0.1278","","","","","","1.05","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4335128","19.855","0.004","9.4556","0.0015","14.515","0.002","90","","90","","90","","2725.1","0.8","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H40 B10 O2 Rh2 -","- C20 H40 B10 O2 Rh2 -","- C80 H160 B40 O8 Rh8 -","4","0.5","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.1567","0.0809","","","0.1623","0.1961","","","","","","1.041","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335359","15.899","0.002","17.194","0.003","9.5281","0.0014","90","","90","","90","","2604.7","0.7","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H36 N3 O7 P Pd3 -","- C18 H37 N3 O7 P Pd3 -","- C72 H148 N12 O28 P4 Pd12 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0185","0.0179","","","0.0431","0.0433","","","","","","1.147","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4337511","19.7095","0.0005","34.1319","0.0008","7.7539","0.0002","90","","90","","90","","5216.2","0.2","100","2","99.98","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Br12 F148 K60 Mo36 O58.32 -","- Br12 F148 K60 Mo36 O58.32 -","- Br12 F148 K60 Mo36 O58.32 -","1","0.125","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.1078","0.0989","","","0.2748","0.2818","","","","","","1.128","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337744","8.4293","0.0002","19.255","0.0006","14.5767","0.0004","90","","90","","90","","2365.89","0.11","230.01","0.1","230.01","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B3 Cs O7 Zn2 -","- B3 Cs O7 Zn2 -","- B36 Cs12 O84 Zn24 -","12","1.5","","Zhao, Sangen; Zhang, Jia; Zhang, Shu-Quan; Sun, Zhihua; Lin, Zheshuai; Wu, Yicheng; Hong, Maochun; Luo, Junhua","A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation.","Inorganic chemistry","2014","53","5","2521","2527","10.1021/ic402667m","","","0.71073","MoKα","","0.0362","0.0309","","","0.0581","0.0615","","","","","","1.023","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4339792","17.616","0.003","22.889","0.003","9.5032","0.0013","90","","90","","90","","3831.8","1","193","2","193","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H48 Al N O3 -","- C36 Al N O3 -","- C144 Al4 N4 O12 -","4","0.5","","Su, Weiping; Kobayashi, Junji; Ellern, Arkady; Kawashima, Takayuki; Verkade, John G.","Steric stabilization of a monomeric proalumatrane: experimental and theoretical studies.","Inorganic chemistry","2007","46","19","7953","7959","10.1021/ic7010327","","","0.71073","MoKα","","0.0847","0.073","","","0.1937","0.2015","","","","","","1.236","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4340720","14.8802","0.0005","22.0171","0.0007","21.9728","0.0007","90","","90","","90","","7198.7","0.4","100","2","100.01","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H59 F12 N13 O14 S4 V2 -","- C68 H62 F12 N13 O14 S4 V2 -","- C272 H248 F48 N52 O56 S16 V8 -","4","0.5","","King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.","A Well-Defined Terminal Vanadium(III) Oxo Complex.","Inorganic chemistry","2014","53","21","11388","11395","10.1021/ic5010177","","","0.71073","MoKα","","0.0272","0.0263","","","0.067","0.0679","","","","","","1.0557","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4341245","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341766","29.5729","0.0008","11.2228","0.0003","12.7992","0.0003","90","","90","","90","","4247.94","0.19","295","","295","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Ba14 Ge78 -","- Ba14 Ge78 -","- Ba28 Ge156 -","2","0.25","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","","","0.71073","MoKα","","","0.0386","","","","0.041","","","","","","1.01","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4342418","5.4715","0.0004","9.1963","0.0006","11.4436","0.0009","90","","90","","90","","575.81","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ni O6 Pb Se2 -","- Ni O6 Pb Se2 -","- Ni4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0142","0.0141","","","0.0346","0.0346","","","","","","1.109","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4343211","14.4693","0.0008","65.138","0.003","28.8888","0.0013","90","","90","","90","","27228","2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C72 H42 Cu6 N2 O30 -","- C72 H30 Cu6 N2 O30 -","- C576 H240 Cu48 N16 O240 -","8","1","","Duan, Xing; Wu, Chuande; Xiang, Shengchang; Zhou, Wei; Yildirim, Taner; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","Novel microporous metal-organic framework exhibiting high acetylene and methane storage capacities.","Inorganic chemistry","2015","54","9","4377","4381","10.1021/acs.inorgchem.5b00194","","","0.71073","MoKα","","0.1346","0.0933","","","0.2216","0.2473","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343504","13.442","0.005","17.306","0.005","14.691","0.005","90","","90","","90","","3418","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Ho2 N32 -","- C49 H58 B6 Cl2 Ho2 N32 -","- C98 H116 B12 Cl4 Ho4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0565","0.0418","","0.0539","0.0448","0.0429","","","","","","1.0926","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343505","13.663","0.005","17.178","0.005","14.661","0.005","90","","90","","90","","3441","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H30 B3 Cl2 N16 Yb -","- C25 H30 B3 Cl2 N16 Yb -","- C100 H120 B12 Cl8 N64 Yb4 -","4","0.5","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0382","0.0318","","0.0421","0.0335","0.0326","","","","","","1.0766","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343506","13.372","0.005","17.327","0.005","14.665","0.005","90","","90","","90","","3398","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Gd2 N32 -","- C49 H58 B6 Cl2 Gd2 N32 -","- C98 H116 B12 Cl4 Gd4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.096","0.0612","","0.0773","0.0551","0.051","","","","","","1.1051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343507","13.396","0.005","17.295","0.005","14.667","0.005","90","","90","","90","","3398","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Dy2 N32 -","- C49 H58 B6 Cl2 Dy2 N32 -","- C98 H116 B12 Cl4 Dy4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0518","0.0389","","0.0439","0.0378","0.036","","","","","","1.1019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343508","13.364","0.005","17.328","0.005","14.669","0.005","90","","90","","90","","3397","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Ho2 N32 -","- C49 H58 B6 Cl2 N32 Tb2 -","- C98 H116 B12 Cl4 N64 Tb4 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0363","0.0313","","0.039","0.034","0.0332","","","","","","1.0875","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343657","20.375","","8.508","","11.224","","90","","90","","90","","1945.69","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","S F3 As F6","","- As S -","- As S -","- As12 S12 -","12","1.5","","Gibler, D.D.; Zalkin, A.; Adams, C.J.; Fischer, M.; Bartlett, N.","Structural studies of trifluorosulfur(IV)yl, (S F3)(+), salts including the crystal structure of (S F3)(+) (B F4)(-)","Inorganic Chemistry","1972","11","","2325","2329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344111","8.69","","5.38","","4.86","","90","","90","","90","","227.216","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","N P F2","","- F2 N P -","- F2 N P -","- F8 N4 P4 -","4","0.5","","Allcock, H.R.; Kugel, R.L.; Stroh, E.G.","Phosphonitrilic Compounds. XII. The Structure and Properties of Poly(difluorophosphazene)","Inorganic Chemistry","1972","11","","1120","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344196","10.528","","13.219","","13.129","","90","","90","","90","","1827.16","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","(N H4)5 (Mo2 Cl9) H2 O","","- Cl9 H22 Mo2 N5 O -","- Cl9 H22 Mo2 N5 O -","- Cl36 H88 Mo8 N20 O4 -","4","0.5","","Brencic, J.V.; Cotton, F.A.","Stoichiometric and structural characterization of the compound (N H4)5 Mo2 Cl9 * H2 O","Inorganic Chemistry","1970","9","","346","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4345172","48.1145","0.0014","26.6472","0.0018","28.6307","0.001","90","","90","","90","","36708","3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H500 Cl21 O378 Tb37 -","- C104 H175 Cl14 O250 Tb37 -","- C416 H700 Cl56 O1000 Tb148 -","4","0.5","","Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun","Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure.","Inorganic chemistry","2017","56","4","2037","2041","10.1021/acs.inorgchem.6b02714","","","0.71073","MoKα","","0.1011","0.0693","","","0.1246","0.1364","","","","","","0.969","","","","has coordinates","193410","2020-10-21","18:00:00",""
"4345173","49.948","0.01","27.552","0.006","29.639","0.006","90","","90","","90","","40788","15","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H490 Cl21 Eu37 O378 -","- C104 H175 Cl14 Eu37 O250 -","- C416 H700 Cl56 Eu148 O1000 -","4","0.5","","Zhou, Yang; Zheng, Xiu-Ying; Cai, Jing; Hong, Zi-Feng; Yan, Zhi-Hao; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Zheng, Lan-Sun","Three Giant Lanthanide Clusters Ln37 (Ln = Gd, Tb, and Eu) Featuring A Double-Cage Structure.","Inorganic chemistry","2017","56","4","2037","2041","10.1021/acs.inorgchem.6b02714","","","0.71073","synchrotronMonochr","","0.0585","0.0555","","","0.143","0.1448","","","","","","1.025","","","","has coordinates","193410","2020-10-21","18:00:00",""
"4346235","20.8798","0.0006","14.5239","0.0004","22.4484","0.0007","90","","90","","90","","6807.6","0.3","100","","100","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H90 Mn6 P6 Te6 -","- C36 H90 Mn6 P6 Te6 -","- C144 H360 Mn24 P24 Te24 -","4","0.5","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0778","0.0787","","","","","","1.066","","","","has coordinates,has disorder","231675","2020-10-21","18:00:00",""
"4346763","16.252","0.003","15.88","0.003","12.165","0.002","90","","90","","90","","3139.6","1","110","2","110","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C25 H23 Cl4 F6 N3 O3 P Re -","- C25 H23 Cl4 F6 N3 O3 P Re -","- C100 H92 Cl16 F24 N12 O12 P4 Re4 -","4","0.5","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0618","0.0441","","","0.0969","0.1045","","","","","","1.11","","","","has coordinates,has disorder","231968","2020-10-21","18:00:00",""
"4348526","13.806","0.004","7.91","0.002","9.093","0.003","90","","90","","90","","993","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","K3B3O10H8","","","- B3 H8 K3 O10 -","- B3 H8 K3 O10 -","- B12 H32 K12 O40 -","4","0.5","","Liu, Qiong; Zhang, Xiangyu; Yang, Zhihua; Zhang, Fangfang; Liu, Lili; Han, Jian; Li, Zhi; Pan, Shilie","K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4](3-) Anion Groups.","Inorganic chemistry","2016","55","17","8744","8749","10.1021/acs.inorgchem.6b01298","","","0.71073","MoKα","","0.0482","0.0457","","","0.1458","0.148","","","","","","1.13","","","","has coordinates","233054","2020-10-21","18:00:00",""
"4348575","10.3485","0.0015","13.475","0.002","13.74","0.002","90","","90","","90","","1916","0.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H16 B2 Cl6 P2 -","- C10 H16 B2 Cl6 P2 -","- C40 H64 B8 Cl24 P8 -","4","0.5","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.0297","0.0282","","","0.0686","0.0693","","","","","","1.009","","","","has coordinates","233119","2020-10-21","18:00:00",""
"4349711","4.5669","0.0003","27.9366","0.0016","13.3819","0.0008","90","","90","","90","","1707.31","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag6 Ba6 In2 Te12 -","- Ag6 Ba6 In2 Te12 -","- Ag12 Ba12 In4 Te24 -","2","0.25","","Lee, M.-Y.; Bilc, D. I.; Symeou, E.; Lin, Y.-C.; Liang, I.-C.; Kyratsi, T.; Hsu, K.-F.","Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6","Inorganic Chemistry Frontiers","2017","4","9","1458","","10.1039/C7QI00210F","","","0.71073","MoKα","","0.0185","0.018","","","0.0362","0.0364","","","","","","1.044","","","","has coordinates","235760","2020-10-21","18:00:00",""
"4500311","21.626","0.002","14.6622","0.0017","17.777","0.003","90","","90","","90","","5636.8","1.3","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","Zn-F-MOF-4A","","","- C29 H22 F5.92 N2 O4 Zn -","- C29 H22.5 F5.92 N2 O4 Zn -","- C232 H180 F47.36 N16 O32 Zn8 -","8","1","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0967","0.0596","","","0.1345","0.1542","","","","","","0.949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501119","7.0917","0.0013","12.28","0.003","11.4693","0.0018","90","","90","","90","","998.8","0.3","296","2","293","2","1013.25","","","","","","","4","C m c 21","C 2c -2","36","1,4-diazabicyclo[2.2.2]octane dihydrobromide, dabco dihydrobromide, dabco2HBr","1,4-diazabicyclo[2.2.2]octane dihydrobromide","","- C6 H14 Br2 N2 -","- C6 H14 Br2 N2 -","- C24 H56 Br8 N8 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.186","0.1259","","","0.3407","0.3557","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501122","7.185","0.003","12.382","0.006","11.119","0.003","90","","90","","90","","989.2","0.7","296","2","296","2","480000","","","","","","","5","C m c 21","C 2c -2","36","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C24 H64 Br8 N8 O4 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0845","0.064","","","0.1349","0.1446","","","","","","1.102","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501312","34.3111","0.001","40.5399","0.0011","20.3265","0.0007","90","","90","","90","","28273.5","1.5","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C138 H92 Cd12 N115 -","- C138 H92 Cd12 N115 -","- C552 H368 Cd48 N460 -","4","0.5","","Pachfule, Pradip; Banerjee, Rahul","Porous Nitrogen Rich Cadmium-Tetrazolate Based Metal Organic Framework (MOF) for H2and CO2Uptake","Crystal Growth & Design","2011","11","12","5176","","10.1021/cg201054f","","","0.71073","MoKα","","0.0687","0.0531","","","0.1478","0.1583","","","","","","1.035","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501485","18.8555","0.0015","31.189","0.002","12.0975","0.0015","90","","90","","90","","7114.3","1.1","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H40 Cd2 N2 O11 S -","- C30 H40 Cd2 N2 O11 S -","- C240 H320 Cd16 N16 O88 S8 -","8","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.0763","0.0568","","","0.1274","0.1314","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502493","10.7383","0.0011","26.276","0.003","7.8516","0.0008","90","","90","","90","","2215.4","0.4","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H12 Br Cd3 N15 O -","- C10 H12 Br Cd3 N15 O -","- C40 H48 Br4 Cd12 N60 O4 -","4","0.5","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0828","0.0733","","","0.1733","0.1815","","","","","","1.099","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4503067","6.401","0.002","7.22","0.003","4.647","0.001","90","","90","","90","","214.76","0.12","160","2","160","2","","","","","","","","3","C m c 21","C 2c -2","36","Methanol","Methanol","","- C H4 O -","- C H4 O -","- C4 H16 O4 -","4","0.5","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","x-ray","0.71073","MoKα","","0.0488","0.037","","","0.1048","0.1132","","","","","","1.068","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4504503","24.123","0.004","19.831","0.003","14.441","0.003","90","","90","","90","","6908","2","18","3","18","3","","","","","","","","6","C m c 21","C 2c -2","36","C70.ClFeF20TPP","","","- C114 H8 Cl F20 Fe N4 -","- C114 H8 Cl F20 Fe N4 -","- C456 H32 Cl4 F80 Fe4 N16 -","4","0.5","","Olmstead, Marilyn M.; Nurco, Daniel J.","Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70","Crystal Growth & Design","2006","6","1","109","","10.1021/cg050225r","","","0.71073","MoKα","","0.1463","0.0608","","","0.1174","0.1597","","","","","","1.028","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4507250","9.953","0.004","24.553","0.009","17.799","0.006","90","","90","","90","","4350","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H8 In N0 O9 -","- C17 H8 In O9 -","- C68 H32 In4 O36 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0636","0.0606","","","0.1751","0.1785","","","","","","1.075","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4509431","24.8053","0.0009","9.0346","0.0003","6.7517","0.0003","90","","90","","90","","1513.1","0.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag3 K2 S7 Sb3 -","- Ag3 K2 S7 Sb3 -","- Ag12 K8 S28 Sb12 -","4","0.5","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; Zhang, Ren-Chun; An, Yong-Lin; Ning, Gui-ling","Solvothermal Syntheses of Two Novel Layered Quaternary Silver−Antimony(III) Sulfides with Different Strategies","Crystal Growth & Design","2009","9","9","3821","","10.1021/cg9000335","","","0.71073","MoKα","","0.0265","0.0262","","","0.0648","0.065","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510489","6.8884","0.0018","10.83","0.003","10.658","0.003","90","","90","","90","","795.1","0.4","190","","190","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","0.5","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4512701","54.076","0.004","15.3088","0.0006","16.0309","0.0006","90","","90","","90","","13271","1.2","100","","100","","","","","","","","","5","C m c 21","C 2c -2","36","Compound 3","[Me2NH2][Me4N]2[Zn4(5-HIPA)2(H-5-HIPA)2.5].3DMF","","- C46 H45.5 N3 O22.5 Zn4 -","- C46 H45.5 N3 O22.5 Zn4 -","- C368 H364 N24 O180 Zn32 -","8","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.2127","0.106","","","0.1868","0.2257","","","","","","0.969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512914","7.2813","0.0015","16.42","0.003","13.591","0.003","90","","90","","90","","1624.9","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","0.5","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.047","0.0391","","","0.0814","0.0867","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514559","36.7326","0.0016","7.4035","0.0003","12.5047","0.0006","90","","90","","90","","3400.7","0.3","120","","120","","","","","","","","","5","C m c 21","C 2c -2","36","","3,6-Bis(9,9-dimethyl-acridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C45 H40 N2 O2 S -","- C45 H40 N2 O2 S -","- C180 H160 N8 O8 S4 -","4","0.5","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0593","0.051","","","0.1253","0.1308","","","","","","1.02","","","","has coordinates","219744","2020-10-21","18:00:00",""
"4516202","27.783","0.006","7.951","0.002","7.7627","0.0017","90","","90","","90","","1714.8","0.7","100","2","99.97","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H12 Cl2 N Pb0.5 -","- C4 H12 Cl2 N Pb0.5 -","- C32 H96 Cl16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0397","0.0392","","","0.0988","0.0993","","","","","","1.076","","","","has coordinates","226189","2020-10-21","18:00:00",""
"4517594","27.9864","0.0007","7.987","0.004","7.8338","0.0007","90","","90","","90","","1751.1","0.9","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","Butylammonium Lead Chloride","","","- C8 H24 Cl4 N2 Pb -","- C8 H24 Cl4 N2 Pb -","- C32 H96 Cl16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","x-ray","0.71359","MoKα","","0.0216","0.0195","","","0.0465","0.0469","","","","1.72","1.72","1.69","","","","has coordinates","251020","2020-10-21","18:00:00",""
"4518240","7.7262","0.001","17.898","0.002","6.8819","0.0007","90","","90","","90","","951.65","0.19","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H10 Br3 Cd N S -","- C12 H40 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.0626","0.0548","","","0.1362","0.139","","","","","","1.015","","","","has coordinates","259170","2020-11-18","22:14:53",""
"4518241","7.7434","0.0004","17.9097","0.0014","6.8556","0.0003","90","","90","","90","","950.75","0.1","213","","213","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C3 H8 Br3 Cd N S -","- C3 H8 Br3 Cd N S -","- C12 H32 Br12 Cd4 N4 S4 -","4","0.5","","He, Lei; Liu, Yuting; Shi, Pingping; Cai, Hongling; Fu, Dawei; Ye, Qiong","Energy Harvesting and Pd(II) Sorption Based on Organic-Inorganic Hybrid Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16180","","","0.71073","MoKα","","0.1006","0.0946","","","0.2662","0.276","","","","","","1.05","","","","has coordinates","259171","2020-11-18","22:15:16",""
"4518417","29.0335","0.001","9.8648","0.0002","11.2544","0.0003","90","","90","","90","","3223.37","0.15","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 H3 O2 S14 Sb9 -","- Cs2 H3.0002 O2 S14 Sb9 -","- Cs8 H12.0008 O8 S56 Sb36 -","4","0.5","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.0353","0.0329","","","0.1023","0.1072","","","","","","1.014","","","","has coordinates,has disorder","261232","2021-01-26","22:14:18",""
"4518418","29.5767","0.0016","9.8711","0.0005","22.8189","0.0011","90","","90","","90","","6662.1","0.6","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H18 N3 S15 Sb9 -","- C3 H18.5 N3 S15 Sb9 -","- C24 H148 N24 S120 Sb72 -","8","1","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.03","0.0269","","","0.0652","0.0678","","","","","","1.014","","","","has coordinates,has disorder","261233","2021-01-26","22:14:50",""
"4518419","28.582","0.002","9.903","0.0007","11.2422","0.0006","90","","90","","90","","3182.1","0.4","291","2","291","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H7 K2 O4 S14 Sb9 -","- H2.999 K2 O4 S14 Sb9 -","- H11.996 K8 O16 S56 Sb36 -","4","0.5","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.0482","0.0395","","","0.0943","0.1012","","","","","","1.087","","","","has coordinates,has disorder","261234","2021-01-26","22:15:24",""
"4519421","21.798","0.003","8.9774","0.0016","9.6932","0.0018","90","","90","","90","","1896.9","0.6","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","(2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","0.5","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0713","0.0457","","","0.0995","0.1087","","","","","","1.032","","","","has coordinates","274272","2022-04-03","20:19:03",""
"5000288","21.4725","0.0008","8.8163","0.0004","14.0146","0.0006","90","","90","","90","","2653.08","0.19","115","2","115","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H50 Cl N O P2 Ru -","- C21 H49 Cl N O P2 Ru -","- C84 H196 Cl4 N4 O4 P8 Ru4 -","4","0.5","","Coalter, Joseph N.; Huffman, John C.; Caulton, Kenneth G.","Cleavage of H-C(sp^2^) and C(sp^2^)-X Bonds (X = Alkyl, Aryl, OR, NR~2~): Facile Decarbonylation, Isonitrile Abstraction, or Dehydrogenation of Aldehydes, Esters, Amides, Amines, and Imines by [RuHCl(P^i^Pr~3~)~2~]~2~","Organometallics","2000","19","18","3569","3578","10.1021/om000390y","","","0.71073","MoKα","","","0.0193","","","","0.0225","","","","","","0.6094","","","","has coordinates,has disorder","176755","2020-10-21","18:00:00",""
"5000291","21.4753","0.0007","8.8416","0.0003","13.4685","0.0004","90","","90","","90","","2557.35","0.14","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C22 H50 Cl N P2 Ru -","- C22 H50 Cl N P2 Ru -","- C88 H200 Cl4 N4 P8 Ru4 -","4","0.5","","Ferrando-Miguel, German; Coalter, III, Joseph N.; Gérard, Hélène; Huffman, John C.; Eisenstein, Odile; Caulton, Kenneth G.","Geminal Dehydrogenation of Ether and Amine C(sp^3^)H~2~ Groups by Electron-Rich Ru(II) and Os","New Journal of Chemistry","2002","26","6","687","700","10.1039/b200168n","","","0.71073","MoKα","","","0.0276","","","","0.0307","","","","","","0.8602","","","","has coordinates,has disorder","178195","2020-10-21","18:00:00",""
"6000052","5.711","0.0004","14.699","0.001","8.823","0.0004","90","","90","","90","","740.66","0.08","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O9 Re2 V -","- O9 Re2 V -","- O36 Re8 V4 -","4","0.5","","Bastide, Beatrice; Enjalbert, Renee; Fuess, Hartmut; Galy, Jean","VO(ReO4)(2): solid state and structural chemistry","Solid State Sciences","2000","2","","545","552","10.1016/S1293-2558(00)01058-X","","x-ray","0.71069","MoKα","","","0.038","","","0.093","","","","","","","1.029","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000624","8.892","","11.961","","5.546","","90","","90","","90","","589.86","","","","","","","","","","","","","4","C m c 21","","","","","","- Bi Ca2 O6 V -","","","","","","Radosavljevic, I.; Evans, J. S. O.; Sleight, A. W.","Synthesis and structure of BiCa2VO6","Journal of Solid State Chemistry","1998","137","","143","147","10.1006/jssc.1997.7741","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000709","19.395","0.005","15.452","0.005","14.469","0.005","90","0.005","90","0.005","90","0.005","4336","2","103","2","","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C42 H57 Co3 S6 -","- C42 H57 Co3 S6 -","- C168 H228 Co12 S24 -","4","0.5","","Shibata, Yusuke; Zhu, Baohua; Kume, Shoko; Nishihara, Hiroshi","Development of a versatile synthesis method for trinuclear Co(iii), Rh(iii), and Ir(iii) dithiolene complexes, and their crystal structures and multi-step redox properties","Dalton Transactions","2009","","11","1939","1943","10.1039/b815560g","","","0.71069","MoKα","","","0.058","","","","0.1385","","","","","","1.045","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7001143","20.916","0.005","12.296","0.005","11.204","0.003","90","","90","","90","","2881.5","1.6","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H33 Ag3 N9 O13 S2 -","- C18 H33 Ag3 N9 O13 S2 -","- C72 H132 Ag12 N36 O52 S8 -","4","0.5","","Wu, Hua; Dong, Xian-Wu; Ma, Jian-Fang; Liu, Hai-Yan; Yang, Jin; Bai, Hong-Ye","Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers","Dalton Transactions","2009","","17","3162","3174","10.1039/b814942a","","","0.71069","MoKα","","0.0357","0.0289","","","0.0741","0.0921","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003745","10.8148","0.0016","10.1274","0.0014","33.316","0.005","90","","90","","90","","3649","0.9","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H23.5 B N6.5 Rh -","- C18 H23.5 B N6.5 Rh -","- C144 H188 B8 N52 Rh8 -","8","1","","Adams, Christopher J.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Connelly, Neil G.; Field, Bevis A.; Hallett, Andrew J.; Horne, Mathew","Solid state and solution structures of rhodium and iridium poly(pyrazolyl)borate diene complexes","Dalton Transactions","2008","","20","2680","2692","10.1039/b719223a","","","0.71073","MoKα","","0.0451","0.0356","","","0.0739","0.0774","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004307","16.8266","0.0004","19.4055","0.0004","16.4789","0.0004","90","","90","","90","","5380.8","0.2","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C48 H81 B3 Br3 N3 P2 Pt -","- C48 H81 B3 Br3 N3 P2 Pt -","- C192 H324 B12 Br12 N12 P8 Pt4 -","4","0.5","","Braunschweig, Holger; Green, Helen; Radacki, Krzysztof; Uttinger, Katharina","Synthesis of η1-borazine complexes of palladium and platinum","Dalton Transactions","2008","","27","3531","3534","10.1039/b805298k","","","0.71073","MoKα","","0.019","0.017","","","0.0328","0.0332","","","","","","1.02","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7008092","17.001","0.002","17.967","0.002","10.009","0.001","90","","90","","90","","3057.3","0.6","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C31 H39 Al O2 S2 -","- C31 H39 Al O2 S2 -","- C124 H156 Al4 O8 S8 -","4","0.5","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0435","0.0394","","","0.0875","0.0899","","","","","","1.076","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7009846","11.889","0.002","11.694","0.002","13.953","0.003","90","","90","","90","","1939.9","0.6","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C16 H24 N4 O2 S Zn -","- C16 H24 N4 O2 S Zn -","- C64 H96 N16 O8 S4 Zn4 -","4","0.5","","Hammes, Brian S.; Carrano, Carl J.","Structure and physical properties of several pseudotetrahedral zinc complexes containing a new alkyl thiolate heteroscorpionate ligand","Journal of the Chemical Society, Dalton Transactions","2000","","19","3304","","10.1039/b004037l","","","0.71073","MoKα","","0.0315","0.0303","","0.0973","0.081","","","","0.914","0.91","0.91","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7010537","14.293","0.003","22.48","0.005","26.103","0.005","90","","90","","90","","8387","3","293","2","293","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C28 H91 Mo8 N21 Ni3 O45 P V8 -","- C28 H86 Mo8 N21 Ni3 O45 P V8 -","- C112 H344 Mo32 N84 Ni12 O180 P4 V32 -","4","0.5","","Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng","Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions","Journal of the Chemical Society, Dalton Transactions","2001","","6","772","","10.1039/b010227j","","","0.71073","MoKα","","0.1147","0.0685","","","0.1819","0.1976","","","","","","1.04","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00",""
"7011631","11.337","0.002","13.456","0.002","12.805","0.002","90","","90","","90","","1953.4","0.5","150","","150","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H4 O11 Ru4 -","- C15 H4 O11 Ru4 -","- C60 H16 O44 Ru16 -","4","0.5","","Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.","Synthesis of carbido and related derivatives from calcium carbide and ruthenium carbonyl clusters","Journal of the Chemical Society, Dalton Transactions","2002","","20","3879","","10.1039/b202364b","","","0.71073","MoKα","","0.058","0.05","","0.139","","0.107","","","2.04","","","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7011894","14.036","0.002","20.009","0.003","10.097","0.002","90","","90","","90","","2835.7","0.8","150","","150","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C16 H31.5 Co Cu2 N6.5 O3 S3 -","- C16 H31.5 Co Cu2 N6.5 O3 S3 -","- C64 H126 Co4 Cu8 N26 O12 S12 -","4","0.5","","Makhankova, Valeriya G.; Vassilyeva, Olga Yu.; Kokozay, Volodymyr N.; Skelton, Brian W.; Sorace, Lorenzo; Gatteschi, Dante","Novel polynuclear CuII/CoII complexes constructed from one and two Cu2Co triangles with antiferromagnetic exchange coupling","Journal of the Chemical Society, Dalton Transactions","2002","","22","4253","","10.1039/b205389f","","","0.71073","MoKα","","0.065","0.043","","0.053","","0.048","","","1.31","","","1.388","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7012758","15.884","0.005","6.86","0.005","18.394","0.005","90","","90","","90","","2004.3","1.7","293","2","293","2","","","","","","","synthesis as described","5","C m c 21","C 2c -2","36","","","","- C10 H18 Na2 O16 V2 -","- C10 H14 Na2 O16 V2 -","- C40 H56 Na8 O64 V8 -","4","0.5","","del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante","Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand","Dalton Transactions","2003","","9","1813","","10.1039/b300914a","","x-ray","0.71069","MoKα","","0.0904","0.067","","","0.1597","0.1707","","","","","","1.288","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013240","9.048","0.0004","12.1395","0.0007","13.4546","0.0006","90","","90","","90","","1477.83","0.13","143","2","143","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10 H11 Cl4 Ga N2 -","- C10 H11 Cl4 Ga N2 -","- C40 H44 Cl16 Ga4 N8 -","4","0.5","","Nogai, Stefan; Schriewer, Alexander; Schmidbaur, Hubert","Reactions of trichlorogermane HGeCl3 and dichlorogallane HGaCl2 with pyridine donors","Dalton Transactions","2003","","16","3165","","10.1039/b305792e","","","0.71073","MoKα","","0.028","0.026","","","0.0552","0.056","","","","","","1.114","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013947","16.9833","0.0007","15.8113","0.0004","13.6271","0.0005","90","","90","","90","","3659.3","0.2","193.1","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H62 Li2 N4 S2 Si2 -","- C24 H54 Li2 N4 S2 Si2 -","- C96 H216 Li8 N16 S8 Si8 -","4","0.5","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.054","","","","0.168","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014403","9.049","0.002","11.602","0.003","10.61","0.002","90","","90","","90","","1113.9","0.4","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","(1,5-diselenacyclo-octane-Se,Se')dichlorogermanium(ii)","(1,5-diselenacyclo-octane-Se,Se')dichlorogermanium(II)","","- C6 H12 Cl2 Ge Se2 -","- C6 H12 Cl2 Ge Se2 -","- C24 H48 Cl8 Ge4 Se8 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","694","700","10.1039/c0dt00749h","","","0.71073","MoKα","","0.0354","0.0302","","","0.0671","0.0704","","","","","","1.047","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7015047","10.6982","0.0004","12.3724","0.0004","13.0665","0.0004","90","","90","","90","","1729.51","0.1","123","","123","","","","","","","","see text","5","C m c 21","C 2c -2","36","","","","- C11 H6 As2 Fe3 O9 -","- C11 H6 As2 Fe3 O9 -","- C44 H24 As8 Fe12 O36 -","4","0.5","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred","Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2067","2074","10.1039/c0dt01587c","","x-ray","0.71073","MoKα","","0.0264","0.0232","","","0.0514","0.0521","","","","","","0.982","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015268","6.7355","0.0013","11.269","0.002","18.178","0.004","90","","90","","90","","1379.8","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C14 H11 Br N2 O2 Pd -","- C14 H11 Br N2 O2 Pd -","- C56 H44 Br4 N8 O8 Pd4 -","4","0.5","","Luo, Qun-Li; Tan, Jian-Ping; Li, Zhi-Fu; Qin, Yue; Ma, Lin; Xiao, Dong-Rong","Novel bis(azole) pincer palladium complexes: synthesis, structures and applications in Mizoroki-Heck reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3601","3609","10.1039/c0dt01414a","","","0.71073","MoKα","","0.0202","0.0188","","","0.0392","0.0395","","","","","","0.831","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7016336","15.0352","0.0012","9.0589","0.0007","15.347","0.0013","90","","90","","90","","2090.3","0.3","223","2","223","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H24 Cl2 Fe N6 -","- C18 H24 Cl2 Fe N6 -","- C72 H96 Cl8 Fe4 N24 -","4","0.5","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8935","8940","10.1039/c1dt10258c","","","0.71073","MoKα","","0.0581","0.0531","","","0.1102","0.1125","","","","","","1.137","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7017667","4.698","0.001","7.2246","0.0006","13.52","0.001","90","","90","","90","","458.88","0.11","298","2","298","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br Hg2 I3 -","- Br Hg2 I3 -","- Br2 Hg4 I6 -","2","0.25","","Li, Yanjun; Wang, Meng; Zhu, Tianxiang; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","763","766","10.1039/c1dt11317h","","","0.71073","MoKα","","0.0718","0.0716","","","0.1885","0.189","","","","","","1.132","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7018742","17.1751","0.0009","12.4098","0.0011","8.8522","0.0009","90","","90","","90","","1886.8","0.3","150","1","150","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H31 Cl N2 Sn -","- C17 H31 Cl N2 Sn -","- C68 H124 Cl4 N8 Sn4 -","4","0.5","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.0312","0.027","","","0.0554","0.0574","","","","","","1.127","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7019673","19.698","0.0005","19.0319","0.0005","20.2888","0.0005","90","","90","","90","","7606.1","0.3","173","2","173","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C18 H70 Cl2 N9 Ni6 O60 P W9 -","- C18 H48 Cl2 N9 Ni6 O52 P W9 -","- C72 H192 Cl8 N36 Ni24 O208 P4 W36 -","4","0.5","","Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9871","9875","10.1039/c2dt12507b","","","0.71073","MoKα","","0.0516","0.0456","","","0.0912","0.0943","","","","","","1.001","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7020779","9.9772","0.0002","14.7125","0.0003","11.6742","0.0003","90","","90","","90","","1713.65","0.07","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","","1,3-Di-tert-butyl-1H-imidazol-3-ium tetrachloroaurate","","- C11 H21 Au Cl4 N2 -","- C11 H21 Au Cl4 N2 -","- C44 H84 Au4 Cl16 N8 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.0323","0.0284","","0.065","0.0633","0.065","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021060","15.401","0.003","14.48","0.003","8.112","0.0016","90","","90","","90","","1809","0.6","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H17 Cu2 N5 O9 -","- C14 H17 Cu2 N5 O9 -","- C56 H68 Cu8 N20 O36 -","4","0.5","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.738","synchrotron","","0.0466","0.0463","","","0.129","0.1298","","","","","","1.042","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7022273","30.936","0.005","8.5598","0.0011","13.9511","0.0017","90","","90","","90","","3694.3","0.9","89","2","89","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H36 Cl6 Co3 N14 O -","- C26 H36 Cl6 Co3 N14 O -","- C104 H144 Cl24 Co12 N56 O4 -","4","0.5","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0458","0.0364","","","0.07","0.0753","","","","","","1.046","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7024384","7.999","0.002","11.924","0.003","10.796","0.003","90","","90","","90","","1029.7","0.5","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","Pentachloro(dimethylselenide-Se)niobium(V)","Pentachloro(dimethylselenide-Se)niobium(V)","","- C2 H6 Cl5 Nb Se -","- C2 H6 Cl5 Nb Se -","- C8 H24 Cl20 Nb4 Se4 -","4","0.5","","Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","883","891","10.1039/b916336k","","","0.71073","MoKα","","0.0266","0.0248","","","0.0581","0.0596","","","","","","1.087","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024924","29.555","0.006","28.856","0.006","17.719","0.004","90","","90","","90","","15111","6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C52.5 H72.5 N5.5 O41.5 Zn7 -","- C52.5 H43.5 N5.5 O39.64 Zn7 -","- C420 H348 N44 O317.12 Zn56 -","8","1","","Davies, Kate; Bourne, Susan A.; Ohrström, Lars; Oliver, Clive L.","Anionic zinc-trimesic acid MOFs with unusual topologies: reversible hydration studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2869","2874","10.1039/b922690g","","","0.71073","MoKα","","0.0636","0.0526","","","0.1534","0.1738","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024938","7.161","0.002","16.659","0.005","9.536","0.003","90","","90","","90","","1137.6","0.6","90","2","90","2","","","","","","","","5","C m c 21","C 2c -2","36","Neptunyl(V) N,N-dimethyl-3-oxa-glutaramate monohydrate","","","- C6 H14 N Np O8 -","- C6 H4 N Np O8 -","- C24 H16 N4 Np4 O32 -","4","0.5","","Rao, Linfeng; Tian, Guoxin; Teat, Simon J.","Complexation of Np(V) with N,N-dimethyl-3-oxa-glutaramic acid and related ligands: thermodynamics, optical properties and structural aspects.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3326","3330","10.1039/b922851a","","","0.7749","synchrotron","","0.0295","0.0287","","","0.0728","0.0733","","","","","","1.065","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7025682","17.46","0.006","28","0.015","18.76","0.004","90","","90","","90","","9171","6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C49 H69 N5 Sm -","- C49 H69 N5 Sm -","- C392 H552 N40 Sm8 -","8","1","","Gardiner, Michael G.; James, Adam N.; Jones, Cameron; Schulten, Christian","Sm(II) reduction chemistry of heteroalkynes: stable adducts, reductive coupling, reductive C-C/C-N bond cleavage and trapping of the tert-butyl fragment with bulky nitriles, phosphaalkynes and isonitriles.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6864","6870","10.1039/c002778b","","","0.75277","Synchrotron","","0.0307","0.0306","","","0.0748","0.0748","","","","","","1.059","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7026063","20.257","0.002","15.3291","0.0017","7.3121","0.0008","90","","90","","90","","2270.6","0.4","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C23 H29 Cl Fe N2 O2 -","- C23 H29 Cl Fe N2 O2 -","- C92 H116 Cl4 Fe4 N8 O8 -","4","0.5","","Mayilmurugan, Ramasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan","Novel square pyramidal iron(III) complexes of linear tetradentate bis(phenolate) ligands as structural and reactive models for intradiol-cleaving 3,4-PCD enzymes: Quinone formation vs. intradiol cleavage.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9611","9625","10.1039/c0dt00171f","","","0.71073","MoKα","","0.0618","0.0522","","","0.135","0.1631","","","","","","1.144","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026604","13.136","0.003","12.813","0.003","11.417","0.002","90","","90","","90","","1921.6","0.7","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C15 H28 Co F2 N P2 -","- C15 H28 Co F2 N P2 -","- C60 H112 Co4 F8 N4 P8 -","4","0.5","","Lian, Zhe; Xu, Xiaofeng; Sun, Hongjian; Chen, Yue; Zheng, Tingting; Li, Xiaoyan","Imine-assisted C-F bond activation using low-valent cobalt compounds supported by trimethylphosphine ligands and formation of novel organic fluorides.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9523","9529","10.1039/c0dt00526f","","","0.71073","MoKα","","0.0281","0.0232","","","0.0567","0.0584","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027414","15.38","0.004","7.7248","0.0008","6.913","0.0003","90","","90","","90","","821.3","0.2","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","Dicopper diiodide triazine","1,3,5-triazine bis(copper(I) iodide)","","- C3 H3 Cu2 I2 N3 -","- C3 H3 Cu2 I2 N3 -","- C12 H12 Cu8 I8 N12 -","4","0.5","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cooke, Paul A.; Deveson, Anne M.; Fenske, Dieter; Hubberstey, Peter; Li, Wan-Sheung; Schröder, Martin","Controlling copper(I) halide framework formation using N-donor bridging ligand symmetry: use of 1,3,5-triazine to construct architectures with threefold symmetry","Journal of the Chemical Society, Dalton Transactions","1999","","13","2103","","10.1039/a902290b","","","0.71073","MoKα","","0.0263","0.0257","","","0.0639","0.0642","","","","","","1.164","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027425","10.878","0.0013","9.0848","0.0009","14.213","0.002","90","","90","","90","","1404.6","0.3","203","2","203","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 I2 N3 P S -","- C6 H18 I2 N3 P S -","- C24 H72 I8 N12 P4 S4 -","4","0.5","","Cross, Wendy I.; Godfrey, Stephen M.; Jackson, Sheena L.; McAuliffe, Charles A.; Pritchard, Robin G.","The reaction of the tertiary phosphine sulfides R3PS (R = Ph, Me2N or C6H11) with X2 (X2 = I2, Br2, IBr or ICl); structural characterisation of the CT complexes (Me2N)3PSI2 and Ph3PS(I0.89Br0.11)Br and the ionic compound [{(Me2N)3PS}2S]2+ 2[Br3]−","Journal of the Chemical Society, Dalton Transactions","1999","","13","2225","","10.1039/a902433f","","","0.71069","MoKα","","0.0326","0.0323","","","0.0827","0.083","","","","","","1.187","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027751","21.7074","0.0003","12.1388","0.0002","7.9913","0.0002","90","","90","","90","","2105.72","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","10,16-dioxa-3,13,,23,29-tetraazatetraciclo[23.3.1.0^4,9^.0^17,22^] nonacosa-1(29),4(9),5,7,17,19,21,25,27-nonaene","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","0.5","","Adams, Harry; Bastida, Rufina; Fenton, David E.; Macías, Alejandro; Spey, Sharon E.; Valencia, Laura","Zinc and cadmium complexes of an 18-membered N4O2 oxaaza-Schiff base macrocycle and the corresponding reduced form †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4131","","10.1039/a906372b","","","0.71073","MoKα","","0.0471","0.0365","","","0.0856","0.0947","","","","","","1.035","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7028300","20.0544","0.0003","15.419","0.0003","7.2025","0.0001","90","","90","","90","","2227.15","0.06","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","Mn complexes","","","- C23 H32 Cl Mn N2 O2 -","- C23 H30 Cl Mn N2 O2 -","- C92 H120 Cl4 Mn4 N8 O8 -","4","0.5","","Sankaralingam, Muniyandi; Palaniandavar, Mallayan","Tuning the olefin epoxidation by manganese(III) complexes of bisphenolate ligands: effect of Lewis basicity of ligands on reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","538","550","10.1039/c3dt51766g","","","0.71073","MoKα","","0.0456","0.0349","","","0.0808","0.0863","","","","","","1.033","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028668","16.1727","0.0005","20.7446","0.0005","16.2709","0.0005","90","","90","","90","","5458.8","0.3","223","2","223","2","","","","","","","","9","C m c 21","C 2c -2","36","","","","- C44.5 H51.75 B Cu2 F6 N7.25 P3 S5 W -","- C42 H48 B Cu2 F6 N6 P3 S5 W -","- C168 H192 B4 Cu8 F24 N24 P12 S20 W4 -","4","0.5","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0384","0.0349","","","0.0895","0.0924","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029264","24.065","0.0009","9.4662","0.0003","6.1652","0.0002","90","","90","","90","","1404.46","0.08","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H14 N2 Sn -","- C18 H14 N2 Sn -","- C72 H56 N8 Sn4 -","4","0.5","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0178","0.0176","","","0.046","0.0462","","","","","","1.049","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7030805","7.383","0.001","18.412","0.002","13.791","0.002","90","","90","","90","","1874.7","0.4","298","","298","2","","","","","","","","2","C m c 21","C 2c -2","36","RUB-37","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","6.5498","1.27","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030830","15.835","0.002","15.794","0.002","6.3968","0.0009","90","","90","","90","","1599.8","0.4","353","2","353","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H12 Cu N6 S2 -","- C12 H12 Cu N6 S2 -","- C48 H48 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","0.71073","MoKα","","0.0308","0.0298","","","0.0748","0.0757","","","","","","1.054","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030832","18.0714","0.0016","15.1311","0.0014","6.5878","0.0006","90","","90","","90","","1801.4","0.3","353","2","353","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H16 Cu N6 S2 -","- C14 H16 Cu N6 S2 -","- C56 H64 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","0.71073","MoKα","","0.0418","0.034","","","0.0724","0.0779","","","","","","1.061","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030833","17.93","0.006","14.618","0.004","6.513","0.003","90","","90","","90","","1707.1","1.1","103","2","103","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H16 Cu N6 S2 -","- C14 H16 Cu N6 S2 -","- C56 H64 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","1.54178","CuKα","","0.0373","0.0366","","","0.091","0.0923","","","","","","1.036","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7032613","8.023","0.005","11.998","0.007","10.752","0.006","90","","90","","90","","1035","1.1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","Tantalum pentachloride dimethyltelluride","","- C2 H6 Cl5 Ta Te -","- C2 H6 Cl5 Ta Te -","- C8 H24 Cl20 Ta4 Te4 -","4","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian","Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16640","16648","10.1039/c4dt02694b","","","0.71073","MoKα","","0.0681","0.0634","","","0.1581","0.1645","","","","","","1.132","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7033691","3.93494","0.00008","14.7566","0.0004","5.63262","0.00014","90","","90","","90","","327.066","0.014","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","2.58","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033692","3.94781","0.00004","14.68792","0.0002","5.67864","0.00008","90","","90","","90","","329.277","0.007","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","2.23","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033694","3.94615","0.00005","14.70587","0.00024","5.66392","0.0001","90","","90","","90","","328.686","0.009","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","1.81","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7034658","14.995","0.01","18.277","0.012","17.451","0.011","90","","90","","90","","4783","5","296","2","296","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C50 H42 Cl5 Ir N2 P2 S -","- C50 H42 Cl5 Ir N2 P2 S -","- C200 H168 Cl20 Ir4 N8 P8 S4 -","4","0.5","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0277","0.0262","","","0.0627","0.0633","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034659","15.3746","0.0018","18.42","0.002","17.336","0.002","90","","90","","90","","4909.6","1","296","2","296","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C49 H40 Cl3 Ir N2 O2 P2 S -","- C49 H40 Cl3 Ir N2 O2 P2 S -","- C196 H160 Cl12 Ir4 N8 O8 P8 S4 -","4","0.5","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0291","0.025","","","0.0654","0.0665","","","","","","1.022","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034822","21.1798","0.0002","12.69988","0.00012","14.89542","0.00016","90","","90","","90","","4006.58","0.07","150","0.1","150","0.1","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H62 B2 Cu F8 N4 O5 -","- C30 H62 B2 Cu F8 N4 O5 -","- C120 H248 B8 Cu4 F32 N16 O20 -","4","0.5","","Bent, S. J.; Mahon, M. F.; Webster, R. L.","Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10253","10258","10.1039/c5dt01312g","","x-ray","1.54184","CuKα","","0.0419","0.041","","","0.1043","0.1058","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036714","25.7987","0.0012","23.5734","0.0012","9.7527","0.0005","90","","90","","90","","5931.2","0.5","77","2","77","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C42 H52 Co4 N6 O39 -","- C42 H28 Co4 N6 O32.5 -","- C168 H112 Co16 N24 O130 -","4","0.5","","Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng","Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18882","18892","10.1039/c5dt02374b","","","0.71073","MoKα","","0.0674","0.0523","","","0.1278","0.1386","","","","","","1.005","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7038240","17.1818","0.0009","13.6111","0.0006","16.4367","0.0009","90","","90","","90","","3843.9","0.3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H51 B Cu N7 -","- C40 H51 B Cu N7 -","- C160 H204 B4 Cu4 N28 -","4","0.5","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0356","0.0327","","","0.0925","0.095","","","","","","1.1","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038252","14.2413","0.0017","9.0598","0.0011","17.831","0.002","90","","90","","90","","2300.6","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19 H38 N2 P2 Se -","- C19 H38 N2 P2 Se -","- C76 H152 N8 P8 Se4 -","4","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.0707","0.0499","","","0.1166","0.1285","","","","","","1.03","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038808","19.081","0.012","22.404","0.014","8.21","0.005","90","","90","","90","","3510","4","273","","273","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H28 As2 Cl2 Pt -","- C32 H28 As2 Cl2 Pt -","- C128 H112 As8 Cl8 Pt4 -","4","0.5","","Tanaka, Susumu; Imoto, Hiroaki; Kato, Takuji; Naka, Kensuke","A practical method for the generation of organoarsenic nucleophiles towards the construction of a versatile arsenic library.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","7937","7940","10.1039/c6dt00723f","","","0.71075","MoKα","","0.0597","0.0547","","","0.1395","0.143","","","","","","1.093","","","","has coordinates","185541","2020-10-21","18:00:00",""
"7038930","17.2038","0.0009","11.4575","0.0006","8.4614","0.0004","90","","90","","90","","1667.85","0.15","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H11 N3 O7 Pb -","- C17 H11 N3 O7 Pb -","- C68 H44 N12 O28 Pb4 -","4","0.5","","Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8164","8173","10.1039/c5dt04409j","","","1.5418","CuKα","","0.043","0.043","","","0.1149","0.1149","","","","","","1.046","","","","has coordinates","185531","2020-10-21","18:00:00",""
"7039586","17.1257","0.0009","16.2367","0.0009","11.2669","0.0006","90","","90","","90","","3132.9","0.3","110","2","110","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H46 Cr N6 O4 -","- C32 H46 Cr N6 O4 -","- C128 H184 Cr4 N24 O16 -","4","0.5","","Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola","Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11781","11790","10.1039/c6dt01396a","","","1.54178","CuKα","","0.053","0.0449","","","0.1091","0.1114","","","","","","1.013","","","","has coordinates,has disorder","185474","2020-10-21","18:00:00",""
"7039599","13.4838","0.0007","14.5951","0.001","13.7759","0.0007","90","","90","","90","","2711.1","0.3","100","2","100","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C21 H36 B F2 I N2 P2 Pt -","- C21 H36 B F2 I N2 P2 Pt -","- C84 H144 B4 F8 I4 N8 P8 Pt4 -","4","0.5","","Irmler, Peter; Winter, Rainer F.","Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10420","10434","10.1039/c6dt01623e","","","0.71073","MoKα","","0.0282","0.0255","","","0.0632","0.064","","","","","","1.12","","","","has coordinates","183828","2020-10-21","18:00:00",""
"7039867","13.323","0.007","15.083","0.008","16.509","0.009","90","","90","","90","","3317","3","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C26 H58 La N3 O2 -","- C26 H58 La N3 O2 -","- C104 H232 La4 N12 O8 -","4","0.5","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0569","0.0491","","","0.1254","0.1297","","","","","","1.198","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7040836","10.342","0.003","10.124","0.003","9.158","0.003","90","","90","","90","","958.9","0.5","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cl4 H2 O2 Rb2 Se -","- Cl4 H2 O2 Rb2 Se -","- Cl16 H8 O8 Rb8 Se4 -","4","0.5","","Wu, Qi; Liu, Hongming; Kang, Lei; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui","Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17723","17728","10.1039/c6dt02608g","","","0.71073","MoKα","","0.0396","0.0324","","","0.0754","0.0781","","","","","","1.068","","","","has coordinates","190175","2020-10-21","18:00:00",""
"7040962","48.335","0.004","10.4309","0.0008","15.6534","0.0011","90","","90","","90","","7892.1","1","100","2","100","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C48 H34 Cl5 F6 N O P2 Rh -","- C46 H30 Cl F6 N O P2 Rh -","- C184 H120 Cl4 F24 N4 O4 P8 Rh4 -","4","0.5","","Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18502","18509","10.1039/c6dt03778j","","","0.71069","MoKα","","0.1028","0.0932","","","0.2331","0.242","","","","","","1.055","","","","has coordinates","190101","2020-10-21","18:00:00",""
"7041428","18.2294","0.0013","7.5534","0.0005","9.8334","0.0006","90","","90","","90","","1354","0.16","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","Two-dimensional Magnesium Sulfate","","","- H14 Mg3 N2 O16 S3 -","- H14 Mg3 N2 O16 S3 -","- H56 Mg12 N8 O64 S12 -","4","0.5","","Marri, Subba R.; Mahana, Sudipta; Topwal, Dinesh; Behera, J. N.","Synthesis and characterization of layered metal sulfates containing M(μ3-OH/F)2(M = Mg, Co) diamond chains.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1105","1111","10.1039/c6dt04142f","","","0.71073","MoKα","","0.0344","0.029","","","0.0692","0.0728","","","","","","1.082","","","","has coordinates","191599","2020-10-21","18:00:00",""
"7041430","17.335","0.004","14.154","0.004","20.474","0.004","90","","90","","90","","5023","2","123","2","123","2","","","","","","","","9","C m c 21","C 2c -2","36","","","","- C40 H45 Co F6 N11 O8 P Ru S0 -","- C40 H46 Co F6 N11 O8 P Ru -","- C160 H184 Co4 F24 N44 O32 P4 Ru4 -","4","0.5","","Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","Effects of Ru(ii/iii) redox on the Co(ii) coordination number and magnetic properties of 1D cyanide-bridged Co-Ru compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1038","1041","10.1039/c6dt04397f","","","0.71073","MoKα","","0.0777","0.0676","","","0.1916","0.2046","","","","","","1","","","","has coordinates,has disorder","191613","2020-10-21","18:00:00",""
"7041649","11.1847","0.0005","11.3284","0.0005","12.5977","0.0006","90","","90","","90","","1596.19","0.13","123","2","123","2","","","","","","","","5","C m c 21","C 2c -2","36","","dichloro(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)phenyl)hydroborate","","- C15 H24 B Cl2 N -","- C15 H24 B Cl2 N -","- C60 H96 B4 Cl8 N4 -","4","0.5","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0238","0.0225","","","0.0578","0.0586","","","","","","1.085","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041955","31.9793","0.0009","10.8558","0.0003","11.0677","0.0004","90","","90","","90","","3842.3","0.2","110","2","110.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H24 Cl2 N6 Ni O8 -","- C10 H24 Cl2 N6 Ni O8 -","- C80 H192 Cl16 N48 Ni8 O64 -","8","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","1.54184","CuKα","","0.051","0.0493","","","0.1364","0.1381","","","","","","1.184","","","","has coordinates","196406","2020-10-21","18:00:00",""
"7042690","3.9383","0.0001","54.0091","0.0006","18.3488","0.0008","90","","90","","90","","3902.9","0.2","293","","293","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- La13 O15 Se16 V7 -","- La13 O15 Se16 V7 -","- La52 O60 Se64 V28 -","4","0.5","","Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk","Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides","Dalton Trans.","2017","","","","","10.1039/C7DT00779E","","x-ray","0.71073","MoKα","","0.0228","0.0174","","","0.0364","0.0383","","","","","","0.99","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7043230","13.4435","0.0004","24.4817","0.0006","14.4494","0.0004","90","","90","","90","","4755.6","0.2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C28 N8 Se28 Sn12 -","- C28 N8 Se28 Sn12 -","- C56 N16 Se56 Sn24 -","2","0.25","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0439","0.0368","","","0.1008","0.1084","","","","","","0.76","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7044474","12.9711","0.0017","24.739","0.004","24.982","0.003","90","","90","","90","","8016.5","1.9","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C35 H58 B10 N Rh2 S -","- C29 H44 B10 N Rh2 S -","- C232 H352 B80 N8 Rh16 S8 -","8","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","0.71073","MoKα","","0.0911","0.0498","","","0.1209","0.149","","","","","","1.008","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7045479","23.237","0.002","10.5234","0.001","12.0981","0.0012","90","","90","","90","","2958.4","0.5","99","2","99","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C38 H34 B2 F2 N4 O -","- C38 H37 B2 F2 N4 O -","- C152 H148 B8 F8 N16 O4 -","4","0.5","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1062","0.0579","","","0.1212","0.1395","","","","","","0.984","","","","has coordinates","229235","2020-10-21","18:00:00",""
"7046545","24.8102","0.0015","33.4318","0.0019","18.3552","0.001","90","","90","","90","","15224.7","1.5","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C117 H164 Cu6 N16 O48 -","- C69 H48 Cu6 O30 -","- C276 H192 Cu24 O120 -","4","0.5","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","0.71073","MoKα","","0.1345","0.0681","","","0.1234","0.137","","","","","","1.013","","","","has coordinates","229313","2020-10-21","18:00:00",""
"7047074","24.2987","0.0016","8.5438","0.0005","30.614","0.003","90","","90","","90","","6355.6","0.8","298","1","298","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38.5 H29 Cu N O4.5 -","- C38.5 H29 Cu N O4.5 -","- C308 H232 Cu8 N8 O36 -","8","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.1354","0.1001","","","0.2015","0.2211","","","","","","1.128","","","","has coordinates,has disorder","229946","2020-10-21","18:00:00",""
"7047282","15.8155","0.0011","8.3224","0.0007","17.1936","0.0012","90","","90","","90","","2263.1","0.3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C11 H14 N5 O10 P3 Zn3 -","- C11 H12 N5 O10 P3 Zn3 -","- C44 H48 N20 O40 P12 Zn12 -","4","0.5","","Han, Song-De; Zhang, Xiu-Rong; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","Two- and three-dimensional hybrid zinc phosphites: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12468","12473","10.1039/c8dt02761g","","","0.71073","MoKα","","0.0692","0.0472","","","0.1153","0.1316","","","","","","1.017","","","","has coordinates","229938","2020-10-21","18:00:00",""
"7048638","35.7794","0.0016","12.6929","0.0005","12.7024","0.0005","90","","90","","90","","5768.7","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C37 H34 N10 O14 Zn2 -","- C37 H34 N10 O14 Zn2 -","- C148 H136 N40 O56 Zn8 -","4","0.5","","Lee, Li-Wei; Kao, Ya-Chuan; Chung, Mei-Ying; Chang, Bor-Chen; Lee, Gene-Hsiang; Peng, Shie-Ming; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Rare metal-ion metathesis of a tetrahedral Zn(ii) core of a noncentrosymmetric (3,4)-connected 3D MOF.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1950","1954","10.1039/c8dt04472d","","","0.71073","MoKα","","0.0791","0.0674","","","0.1801","0.1886","","","","","","1.105","","","","has coordinates,has disorder","224156","2020-10-21","18:00:00",""
"7049161","15.9449","0.0006","17.1036","0.0006","16.1118","0.0005","90","","90","","90","","4393.9","0.3","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C31 H47 Cl2 Se7 Ta3 -","- C31.005 H45 Cl2.009 Se7 Ta3 -","- C124.02 H180 Cl8.036 Se28 Ta12 -","4","0.5","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.0347","0.0297","","","0.0718","0.0745","","","","","","1.051","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7049163","15.7274","0.0005","16.7472","0.0005","15.8653","0.0004","90","","90","","90","","4178.8","0.2","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30.5 H46 B Cl Nb3 S7 -","- C30.5 H45 B Cl Nb3 S7 -","- C122 H180 B4 Cl4 Nb12 S28 -","4","0.5","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.0341","0.0302","","","0.0843","0.0865","","","","","","1.076","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7049772","14.33","0.004","24.429","0.006","19.346","0.008","90","","90","","90","","6772","4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C59 H61 F12 N9 P4 Ru2 -","- C59 H61 F12 N9 P4 Ru2 -","- C236 H244 F48 N36 P16 Ru8 -","4","0.5","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0951","0.0811","","","0.2138","0.2346","","","","","","0.972","","","","has coordinates,has disorder","223824","2020-10-21","18:00:00",""
"7049915","11.8675","0.0003","11.3437","0.0003","14.2301","0.0004","90","","90","","90","","1915.68","0.09","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C17 H14 Cl F8 N2 P Ru -","- C17 H14 Cl F8 N2 P Ru -","- C68 H56 Cl4 F32 N8 P4 Ru4 -","4","0.5","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0347","0.0332","","","0.0866","0.0878","","","","","","1.03","","","","has coordinates,has disorder","224232","2020-10-21","18:00:00",""
"7050795","9.8","0.002","12.045","0.002","5.9433","0.0012","90","","90","","90","","701.6","0.2","150","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H11 B F N O2 -","- C5 H4 B F N O2 -","- C20 H16 B4 F4 N4 O8 -","4","0.5","","Aldridge, Simon; Calder, Richard J.; Coombs, Deborah L.; Jones, Cameron; Steed, Jonathan W.; Coles, Simon; Hursthouse, Michael B.","Intramolecular base-stabilised adducts of main group halides","New Journal of Chemistry","2002","26","6","677","","10.1039/b110692a","","","0.71073","MoKα","","0.1072","0.079","","","0.2346","0.2531","","","","","","1.124","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051121","14.288","0.003","19.827","0.004","10.079","0.002","90","","90","","90","","2855.3","1","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C17 H33 Cu2 N7 O3 S3 Zn -","- C17 H33 Cu2 N7 O3 S3 Zn -","- C68 H132 Cu8 N28 O12 S12 Zn4 -","4","0.5","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.71073","MoKα","","0.1166","0.0635","","","0.1096","0.1311","","","","","","1.005","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051668","22.838","0.003","10.8673","0.0014","10.1015","0.0014","90","","90","","90","","2507.1","0.6","396","2","396","2","","","","","","","","5","C m c 21","C 2c -2","36","Bis-((R),(S)-napthalenylethyl)thiourea","","","- C54 H48 N4 O2 S4 -","- C54 H48 N4 O1.956 S3.716 -","- C108 H96 N8 O3.912 S7.432 -","2","0.25","","Ali, Haslin Dato Paduka; Quinn, Susan J.; McCabe, Thomas; Kruger, Paul E.; Gunnlaugsson, Thorfinnur","Crystallographic, 1H NMR and CD studies of sterically strained thiourea anion receptors possessing two stereogenic centres","New Journal of Chemistry","2009","33","4","793","","10.1039/b819638a","","","0.71073","MoKα","","0.0304","0.0302","","","0.0815","0.0817","","","","","","1.081","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7053432","25.723","0.001","10.273","0.002","6.031","0.001","90","","90","","90","","1593.7","0.4","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","2-chloro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione","2-chloro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione","","- C15 H Cl F10 N2 O2 -","- C15 H Cl F10 N2 O2 -","- C60 H4 Cl4 F40 N8 O8 -","4","0.5","","Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland","The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons","New Journal of Chemistry","2010","34","7","1295","","10.1039/b9nj00771g","","","0.71073","MoKα","","0.0563","0.0374","","","0.0774","0.0835","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053435","25.917","0.002","9.789","0.001","6.04","0.001","90","","90","","90","","1532.4","0.3","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","2-fluoro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione","2-fluoro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione","","- C15 H F11 N2 O2 -","- C15 H F11 N2 O2 -","- C60 H4 F44 N8 O8 -","4","0.5","","Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland","The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons","New Journal of Chemistry","2010","34","7","1295","","10.1039/b9nj00771g","","","0.71073","MoKα","","0.0856","0.0587","","","0.0985","0.108","","","","","","1.185","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053999","14.8356","0.0004","25.4907","0.0006","8.1556","0.0002","90","","90","","90","","3084.2","0.13","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","[CuL6(ClO4)](ClO4)","","","- C25 H32 Cl2 Cu N8 O8 -","- C25 H32 Cl2 Cu N8 O8 -","- C100 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0508","0.0465","","","0.1239","0.1365","","","","","","1.192","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054372","15.5429","0.0017","13.1602","0.0015","7.4458","0.0009","90","","90","","90","","1523","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","MDBTS","","","- C8.5 H5.5 S Si0.5 -","- C8.5 H6 S Si0.5 -","- C68 H48 S8 Si4 -","8","1","","Zhao, Yunfang; Hao, Wanglong; Ma, Wangjing; Zang, Zhanzhan; Zhang, Huarong; Liu, Xiaoxia; Zou, Sufen; Zhang, Haixia; Liu, Weichao; Gao, Jianhua","Easily-soluble heteroacene bis(benzothieno)silole derivatives for sensing of nitro explosives","New J. Chem.","2014","38","12","5754","","10.1039/C4NJ00913D","","","0.71073","MoKα","","0.0375","0.0342","","","0.097","0.1008","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7055592","18.898","0.0004","16.7388","0.0004","17.3542","0.0004","90","","90","","90","","5489.7","0.2","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F70 Ti10 Xe5 -","- F69.994 Ti10 Xe5 -","- F279.976 Ti40 Xe20 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.038","0.035","","","0.0833","0.0857","","","","","","1.027","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055643","16.8955","0.0006","10.3515","0.0004","11.5475","0.0005","90","","90","","90","","2019.59","0.14","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","dichlorido-bis[N-(4-methoxyphenyl)acetamide-O]-zinc(II)","","- C18 H22 Cl2 N2 O4 Zn -","- C18 H22 Cl2 N2 O4 Zn -","- C72 H88 Cl8 N8 O16 Zn4 -","4","0.5","","Sultana, Kishwar; Zaib, Sumera; Hassan Khan, Najm ul; Khan, Imtiaz; Shahid, Khadija; Simpson, Jim; Iqbal, Jamshed","Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies","New J. Chem.","2016","40","8","7084","","10.1039/C5NJ03531G","","","1.54178","CuKα","","0.0257","0.0256","","","0.0664","0.0665","","","","","","1.07","","","","has coordinates","185615","2020-10-21","18:00:00",""
"7058421","28.6797","0.001","7.9654","0.0003","7.5874","0.0003","90","","90","","90","","1733.31","0.11","568","2","568","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H12 Cl4 N4 Pt -","- C14 H12 Cl4 N4 Pt -","- C56 H48 Cl16 N16 Pt4 -","4","0.5","","Patra, Sarat Chandra; Saha Roy, Amit; Banerjee, Saswati; Banerjee, Ananya; Das Saha, Krishna; Bhadra, Ranjan; Pramanik, Kausikisankar; Ghosh, Prasanta","Palladium(ii) and platinum(ii) complexes of glyoxalbis(N-aryl)osazone: molecular and electronic structures, anti-microbial activities and DNA-binding study","New Journal of Chemistry","2019","43","25","9891","","10.1039/C9NJ00223E","","","0.71073","MoKα","","0.0393","0.0385","","","0.1107","0.1114","","","","","","1.064","","","","has coordinates","224852","2020-10-21","18:00:00",""
"7060024","72.7","0.003","7.1925","0.0003","6.0961","0.0003","90","","90","","90","","3187.6","0.2","123","","123","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C39 H40 O4 -","- C39 H40 O4 -","- C156 H160 O16 -","4","0.5","","Arakawa, Yuki; Sasaki, Shunsuke; Igawa, Kazunobu; Tokita, Masatoshi; Konishi, Gen-ichi; Tsuji, Hideto","Birefringence and photoluminescence properties of diphenylacetylene-based liquid crystal dimers","New Journal of Chemistry","2020","44","40","17531","17541","10.1039/D0NJ04426A","","","1.54187","CuKα","","0.0548","0.0455","","","0.0897","0.0934","","","","","","1.085","","","","has coordinates","258916","2020-11-06","12:47:15",""
"7060275","6.1158","0.0007","9.1928","0.0009","9.3984","0.001","90","","90","","90","","528.39","0.1","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C12 H16 N16 O8 -","4","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.038","0.0342","","","0.0889","0.0913","","","","","","1.066","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060765","11.0933","0.0005","18.934","0.0009","12.1126","0.0005","90","","90","","90","","2544.1","0.2","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C22 H33 Cl3 Fe N3 O -","- C22 H28 Cl3 Fe N3 O -","- C88 H112 Cl12 Fe4 N12 O4 -","4","0.5","","Melotti, Marcelo; S. S. Paqui, Matheus; Amorim, André L.; P. de Paula, Carla; Rocha, Marina C.; Malavazi, Iran; Cunha, Anderson; S. Santana, Francielli; Ribeiro, Ronny R.; Gariani, Rogério A.; Mendes, Samuel R.; Xavier, Fernando R.","Polypyridyl iron(iii) complexes containing long alkyl chains: synthesis, characterization, DFT calculations and biological activity","New Journal of Chemistry","2021","45","29","12902","12914","10.1039/D0NJ00895H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0813","0.0851","","","","","","1.034","","","","has coordinates","268834","2021-09-06","11:57:06",""
"7062741","16.301","0.003","14.358","0.002","7.9184","0.0011","90","","90","","90","","1853.3","0.5","93","","93","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C15 H23 Br Mn N5 O3 -","- C15 H23 Br Mn N5 O3 -","- C60 H92 Br4 Mn4 N20 O12 -","4","0.5","","Watari, Ryo; Kayaki, Yoshihito","Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands","New Journal of Chemistry","2023","47","40","18610","18617","10.1039/D3NJ02927A","","","0.71075","MoKα","","0.0447","0.0419","","","0.0996","0.1","","","","","","0.982","","","","has coordinates","287398","2023-11-06","08:04:46",""
"7062852","8.769","0.003","12.709","0.004","13.551","0.005","90","","90","","90","","1510.2","0.9","400","","400","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Br4 Fe N -","- C6 H16 Br4 Fe N -","- C24 H64 Br16 Fe4 N4 -","4","0.5","","Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na","High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap","New Journal of Chemistry","2023","47","44","20619","20625","10.1039/D3NJ03461E","","","0.71073","MoKα","","0.1223","0.0689","","","0.1728","0.2296","","","","","","1.055","","","","has coordinates,has disorder","288830","2024-01-06","08:41:42",""
"7062853","8.6868","0.0004","12.6059","0.0006","13.389","0.0006","90","","90","","90","","1466.16","0.12","219.99","0.1","219.99","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Br4 Fe N -","- C6 H16 Br4 Fe N -","- C24 H64 Br16 Fe4 N4 -","4","0.5","","Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na","High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap","New Journal of Chemistry","2023","47","44","20619","20625","10.1039/D3NJ03461E","","x-ray","0.71073","MoKα","","0.0385","0.0285","","","0.0523","0.0543","","","","","","1.055","","","","has coordinates,has disorder","288830","2024-01-06","08:41:44",""
"7100571","20.478","0.002","8.647","0.001","9.235","0.001","90","","90","","90","","1635.3","0.3","100","","100","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","0.5","","Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels","Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines","Chemical Communications (Cambridge, United Kingdom)","2005","","43","5402","5404","10.1039/b511491h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7102125","11.9746","0.0007","18.4624","0.0011","10.3004","0.0006","90","","90","","90","","2277.2","0.2","193","2","193","2","","","","","","","","4","C m c 21","C 2c -2","36","","1,3,5-tris(1H-tetrazol-5-yl)methyl-2,4,6-triethyl benzene","","- C19 H30 N12 O2 -","- C19 H30 N12 O2 -","- C76 H120 N48 O8 -","4","0.5","","Mahnke, Devin J; McDonald, Robert; Hof, Fraser","A shape-dependent hydrophobic effect for tetrazoles.","Chemical communications (Cambridge, England)","2007","","36","3738","3740","10.1039/b705256a","","","0.71073","MoKα","","0.0268","0.0262","","","0.0696","0.0709","","","","","","1.063","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7104499","19.5755","0.0007","15.9105","0.001","16.0489","0.0006","90","","90","","90","","4998.5","0.4","180","2","180","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H62 N24 O21 -","- C40 H62 N24 O21 -","- C160 H248 N96 O84 -","4","0.5","","Liu, Li; Nouvel, Nicolas; Scherman, Oren A","Controlled catch and release of small molecules with cucurbit[6]uril via a kinetic trap.","Chemical communications (Cambridge, England)","2009","34","22","3243","3245","10.1039/b903033f","","","0.71073","MoKα","","0.0922","0.0658","","","0.1509","0.1684","","","","","","1.073","","","","has coordinates,has disorder","180147","2020-10-21","18:00:00",""
"7106120","21.7967","0.0016","10.8375","0.0008","6.2825","0.0005","90","","90","","90","","1484.06","0.19","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C10 H10 Bi N11 -","- C10 H10 Bi N11 -","- C40 H40 Bi4 N44 -","4","0.5","","Stephan Schulz; Benjamin Lyhs; Georg Jansen; Dieter Blaser; Christoph Wolper","Syntheses and Structures of Triazides of Heavy Group 15 Elements","Chem.Commun.","2011","47","","3401","","10.1039/c1cc10237k","","","0.71073","MoKα","","0.0138","0.0126","","","0.0284","0.0287","","","","","","1.114","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7109487","70.25","0.03","7.333","0.003","5.822","0.002","90","","90","","90","","2999","2","93","","93","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H44 S3 -","- C36 H44 S3 -","- C144 H176 S12 -","4","0.5","","Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi","High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives","Chem.Commun.","2013","49","","6483","","10.1039/c3cc42114g","","","0.71075","MoKα","","","0.0418","","","","0.105","","","","","","1.086","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109488","88.9","0.08","7.391","0.007","5.846","0.005","90","","90","","90","","3841","6","123","","123","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C44 H60 S3 -","- C44 H60 S3 -","- C176 H240 S12 -","4","0.5","","Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi","High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives","Chem.Commun.","2013","49","","6483","","10.1039/c3cc42114g","","","0.71075","MoKα","","","0.0681","","","","0.1857","","","","","","1.089","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109681","44.9393","0.0017","27.0903","0.001","28.1541","0.001","90","","90","","90","","34275","2","273","2","273","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C65.5 H44 Gd2.5 N12 O58.5 Ru2 Si W12 -","- C65.5 H44 Gd2.5 N12 O58.5 Ru2 Si W12 -","- C524 H352 Gd20 N96 O468 Ru16 Si8 W96 -","8","1","","Lei Wang; Weiting Yang; Fei-Yan Yi; Hao Wang; Zhigang Xie; Jinkui Tang; Zhong-Ming Sun","A highly efficient 'metalloligand' strategy for the synthesis of ternary Ln-Ru-W hybrids","Chem.Commun.","2013","49","","7911","","10.1039/c3cc43277g","","","0.71073","MoKα","","0.0671","0.042","","","0.0924","0.0975","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110330","16.636","0.002","12.5912","0.0018","19.216","0.002","90","","90","","90","","4025.1","0.9","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C32 H72 Mn4 N8 -","- C32 H72 Mn4 N8 -","- C128 H288 Mn16 N32 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; John H. Roudebush; Robert J. Cava; Michael J. Zdilla","Formation of the tetranuclear, tetrakis-terminal-imido Mn4IV(NtBu)8 cubane cluster by four-electron reductive elimination of tBuN[double bond, length as m-dash]NtBu. The role of the s-block ion in stabilization of high-oxidation state intermediates","Chem.Commun.","2014","50","","1061","","10.1039/c3cc42165a","","","0.71073","MoKα","","0.0406","0.0364","","","0.0876","0.0922","","","","","","1.113","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7111146","16.2594","0.0008","20.0097","0.001","9.2417","0.0005","90","","90","","90","","3006.7","0.3","173","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H20 Cl8 -","- C36 H20 Cl8 -","- C144 H80 Cl32 -","4","0.5","","Sygula, Andrzej; Marcinow, Zbigniew; Guzei, Ilia; Rabideau, Peter W.; Fronczek, Frank R.","The first crystal structure characterization of a semibuckminsterfullerene, and a novel synthetic route","Chemical Communications","2000","","24","2439","","10.1039/b007771m","","","0.71073","MoKα","","0.081","0.0761","","","0.2122","0.2177","","","","","","1.068","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7112493","12.1294","0.0009","12.0775","0.0007","14.2602","0.0008","90","","90","","90","","2089","0.2","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H29 N S3 Si2 -","- C15 H29 N S3 Si2 -","- C60 H116 N4 S12 Si8 -","4","0.5","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.0607","0.0442","","","0.0963","0.1057","","","","","","1.004","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112679","11.509","0.005","15.496","0.007","12.056","0.005","90","","90","","90","","2150.1","1.6","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C25 H25 Mo N S2 -","- C25 H25 Mo N S2 -","- C100 H100 Mo4 N4 S8 -","4","0.5","","Tan, Ai Ling; Blake, Alexander J.; Davies, E. Stephen; Wilson, Claire; Garner, C. David","A radical pathway to synthesise Mo and W dithiolene complexes.","Chemical communications (Cambridge, England)","2011","47","3","953","954","10.1039/c0cc03756g","","","0.71073","MoKα","","0.0457","0.0403","","","0.0945","0.1","","","","","","1.02","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7113913","17.607","0.005","21.831","0.005","22.897","0.005","90","0.005","90","0.005","90","0.005","8801","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H68 Cl2 Mn2 N6 O66 W17 -","- C12 H48 Cl2 Mn2 N6 O59 W17 -","- C48 H192 Cl8 Mn8 N24 O236 W68 -","4","0.5","","Yan-Qing Jiao; Chao Qin; Xin-Long Wang; Fu-Hong Liu; Peng Huang; Chun-Gang Wang; Kui-Zhan Shao; Zhong-Min Su","Redox-controlled delta-Dawson {Mn2^III^W17} polyoxometalate with photocatalytic H2 evolution activity","Chem.Commun.","2014","50","","5961","","10.1039/C3CC47703G","","","0.71069","MoKα","","0.0808","0.0591","","","0.1427","0.1564","","","","","","1.024","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114206","7.3792","0.0006","32.096","0.002","7.016","0.0006","90","","90","","90","","1661.7","0.2","180","2","180","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C9.6 H9.2 Cu N9 O1.8 W -","- C14 Cu N8 W -","- C56 Cu4 N32 W4 -","4","0.5","","Podgajny, Robert; Korzeniak, Tomasz; Balanda, Maria; Wasiutynski, Tadeusz; Errington, William; Kemp, Terence J.; Alcock, Nathaniel W.; Sieklucka, Barbara","2-D soft ferromagnet based on [WV(CN)8]3‒ and CuII with a Tc of 34 KElectronic supplementary information (ESI) available: structure of [Cu(tetren)]2+ in 1 and (NC)7W‒CN‒Cu(NC)4 structural motif of 2; table and figures of IR spectra of 1, 2, tetren·5HCl and free tetren. See http://www.rsc.org/suppdata/cc/b2/b202810g/","Chemical Communications","2002","","10","1138","","10.1039/b202810g","","","0.71073","MoKα","","0.0433","0.0419","","","0.0982","0.099","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116398","15.499","0.002","27.568","0.004","9.7851","0.0015","90","","90","","90","","4180.9","1","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C81 H19 N -","- C81 H19 N -","- C324 H76 N4 -","4","0.5","","T. W. Chamberlain; M. A. Lebedeva; W. Abuajwa; M. Suyetin; W. Lewis; E. Bichoutskaia; M. Schroder; A.; N.; Khlobystov'","Switching intermolecular interactions by confinement in carbon nanotubes","Chem.Commun.","2015","51","","648","","10.1039/C4cc08029G","","","1.54187","CuKα","","0.0393","0.0391","","","0.1051","0.1055","","","","","","1.03","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7118084","23.035","0.002","17.8506","0.0018","7.0291","0.0007","90","","90","","90","","2890.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","1","","- C29 H32 B2 F4 N4 -","- C29 H32 B2 F4 N4 -","- C116 H128 B8 F16 N16 -","4","0.5","","Changjiang Yu; Lijuan Jiao; Tingting Li; Qinghua Wu; Wei Miao; Jun Wang; Yun Wei; Xiaolong Mu; Erhong Hao","Fusion and planarization of bisBODIPY: a new family of photostable near infrared dyes","Chem.Commun.","2015","51","","16852","","10.1039/C5cc07304A","","","0.71073","MoKα","","0.0798","0.0674","","","0.2346","0.25","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118229","26.039","0.0011","11.4044","0.0005","7.3288","0.0004","90","","90","","90","","2176.35","0.18","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C23 H21 Co N5 O4 -","- C23 H21 Co N5 O4 -","- C92 H84 Co4 N20 O16 -","4","0.5","","Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni","Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","753","756","10.1039/c5cc07397a","","","0.71073","MoKα","","0.0432","0.034","","","0.09","0.1232","","","","","","1.209","","","","has coordinates","209787","2020-10-21","18:00:00",""
"7120079","12.9151","0.0014","20.3651","0.0014","7.0543","0.0006","90","","90","","90","","1855.4","0.3","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C8 H12 Ca F8 N4 O2 P2 -","- C8 H12 Ca F8 N4 O2 P2 -","- C32 H48 Ca4 F32 N16 O8 P8 -","4","0.5","","Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.","Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.","Chemical communications (Cambridge, England)","2017","53","33","4573","4576","10.1039/c7cc01938f","","","1.54178","CuKα","","0.0439","0.0435","","","0.1165","0.117","","","","","","1.059","","","","has coordinates","196214","2020-10-21","18:00:00",""
"7120923","24.8326","0.0016","33.3574","0.0016","18.3852","0.001","90","","90","","90","","15229.4","1.5","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C66 H33 Cu6 N3 O30 -","- C66 H33 Cu6 N3 O30 -","- C264 H132 Cu24 N12 O120 -","4","0.5","","Sharma, Vivekanand; De, Dinesh; Saha, Ranajit; Das, Ranjita; Chattaraj, Pratim K.; Bharadwaj, Parimal K.","A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption","Chemical Communications","2017","","","","","10.1039/C7CC08315G","","","0.71073","MoKα","","0.0949","0.0575","","","0.1392","0.1529","","","","","","1.007","","","","has coordinates","203652","2020-10-21","18:00:00",""
"7122138","27.7738","0.0015","10.6809","0.0005","19.1423","0.0008","90","","90","","90","","5678.5","0.5","120","0.1","120","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C60 H35 Dy3 N O24 -","- C60 H35 Dy3 N O24 -","- C240 H140 Dy12 N4 O96 -","4","0.5","","Wang, Mengmeng; Meng, Xixi; Song, Fen; He, Yanfei; Shi, Wei; Gao, Hongling; Tang, Jinkui; Peng, Cheng","Reversible structural transformation induced switchable single-molecule magnet behavior in lanthanide metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","72","10183","10186","10.1039/c8cc06058d","","x-ray","0.71073","MoKα","","0.0354","0.0333","","","0.0709","0.0725","","","","","","1.04","","","","has coordinates","228416","2020-10-21","18:00:00",""
"7122186","41.133","0.003","13.3359","0.0014","11.1564","0.0008","90","","90","","90","","6119.8","0.9","149.9","0.4","149.9","0.4","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","1","","Huang, Huan-Ming; Adams, Ralph W.; Procter, David J.","Reductive cyclisations of amidines involving aminal radicals.","Chemical communications (Cambridge, England)","2018","54","72","10160","10163","10.1039/c8cc05178j","","x-ray","0.71073","MoKα","","0.1087","0.0785","","","0.1996","0.2542","","","","","","1.01","","","","has coordinates","228407","2020-10-21","18:00:00",""
"7122972","25.2455","0.0018","17.5742","0.0012","12.4359","0.0009","90","","90","","90","","5517.4","0.7","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C58 H89 Cs N4 O -","- C58 H89 Cs N4 O -","- C232 H356 Cs4 N16 O4 -","4","0.5","","Williams, Neil J.; Roy, Santanu; Reynolds, Campbell O.; Custelcean, Radu; Bryantsev, Vyacheslav S.; Moyer, Bruce A.","Enhancing selectivity of cation exchange with anion receptors","Chemical Communications","2019","","","","","10.1039/C9CC00287A","","","0.71073","MoKα","","0.0669","0.0493","","","0.1215","0.1315","","","","","","1.015","","","","has coordinates","213626","2020-10-21","18:00:00",""
"7124894","26.6592","0.0009","23.6211","0.0007","19.6982","0.0007","90","","90","","90","","12404.3","0.7","120","","120","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C120 H101 B Cl6 N12 O5 -","- C120 H101 B Cl6 N12 O5 -","- C480 H404 B4 Cl24 N48 O20 -","4","0.5","","Zhang, Yuehong; Oh, Juwon; Wang, Kang; Shin, Dongju; Zhan, Xiaopeng; Zheng, Yingting; Kim, Dongho; Jiang, Jianzhuang","The first porphyrin-subphthalocyaninatoboron(iii)-fused hybrid with unique conformation and intramolecular charge transfer behavior.","Chemical communications (Cambridge, England)","2016","52","69","10517","10520","10.1039/c6cc05383a","","","1.54184","CuKα","","0.0948","0.0831","","","0.2429","0.2563","","","","","","1.065","","","","has coordinates","234325","2020-10-21","18:00:00",""
"7125177","11.6326","0.0006","13.777","0.0007","21.1559","0.0014","90","","90","","90","","3390.5","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H51 O Si4 Sm -","- C27 H51 O Si4 Sm -","- C108 H204 O4 Si16 Sm4 -","4","0.5","","Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J.","SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols.","Chemical communications (Cambridge, England)","2016","52","92","13503","13506","10.1039/c6cc07318b","","x-ray","0.71073","MoKα","","0.0673","0.053","","","0.0976","0.105","","","","","","1.059","","","","has coordinates,has disorder","234575","2020-10-21","18:00:00",""
"7125794","19.7185","0.0018","19.794","0.002","22.651","0.002","90","","90","","90","","8840.9","1.4","123","2","123","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C76 H79 Al As2 F37 Ge2 N4 O4 -","- C304 H316 Al4 As8 F148 Ge8 N16 O16 -","4","0.5","","Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping","Isolable cyclic radical cations of heavy main-group elements.","Chemical communications (Cambridge, England)","2020","56","14","2167","2170","10.1039/c9cc09582a","","","0.71073","MoKα","","0.0571","0.051","","","0.1394","0.146","","","","","","1.008","","","","has coordinates,has disorder","248830","2020-10-21","18:00:00",""
"7126894","7.2502","0.0002","16.1726","0.0004","13.4121","0.0003","90","","90","","90","","1572.63","0.07","303","2","303.28","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Pu Si6 -","- Cs2 O15 Pu Si6 -","- Cs8 O60 Pu4 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.0289","0.0287","","","0.065","0.0651","","","","","","1.16","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7126895","7.2565","0.0002","16.2451","0.0004","13.4354","0.0003","90","","90","","90","","1583.8","0.07","302","2","302.05","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ce Cs2 O15 Si6 -","- Ce Cs2 O15 Si6 -","- Ce4 Cs8 O60 Si24 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad","Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.","Chemical communications (Cambridge, England)","2020","56","66","9501","9504","10.1039/d0cc02674c","","","0.71073","MoKα","","0.026","0.0258","","","0.0585","0.0586","","","","","","1.088","","","","has coordinates","255987","2020-10-21","18:00:00",""
"7127114","18.6651","0.0016","51.156","0.004","74.909","0.006","90","","90","","90","","71525","10","100","","100","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C552 H418 F72 N24 O72 P24 Pd12 S24 -","- C544 H418 F48 N24 O48 P24 Pd12 S16 -","- C2176 H1672 F192 N96 O192 P96 Pd48 S64 -","4","0.5","","O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J.","Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies.","Chemical communications (Cambridge, England)","2020","56","79","11799","11802","10.1039/d0cc05311b","","x-ray","0.6889","Synchrotron","","0.0775","0.0623","","","0.1712","0.1863","","","","","","1.049","","","","has coordinates,has disorder","260642","2021-01-07","04:41:06",""
"7127236","26.9958","0.0006","42.7901","0.0007","23.1133","0.0006","90","","90","","90","","26699.4","1","100","","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C162 H90 F6 N18 P Tb1.5 -","- C162 H90 F6 N18 P Tb1.5 -","- C1296 H720 F48 N144 P8 Tb12 -","8","1","","Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro","Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.","Chemical communications (Cambridge, England)","2020","56","84","12785","12788","10.1039/d0cc04349d","","","0.71073","MoKα","","0.1415","0.1035","","","0.252","0.2842","","","","","","1.008","","","","has coordinates,has disorder","260693","2021-01-07","04:54:53",""
"7127281","20.2845","0.0009","11.9988","0.0006","8.454","0.0004","90","","90","","90","","2057.62","0.17","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 S2 -","- C15 H22 B10 S2 -","- C60 H88 B40 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0517","0.0425","","","0.1185","0.1287","","","","","","1.158","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127282","19.7267","0.001","12.6094","0.0007","8.409","0.0004","90","","90","","90","","2091.67","0.19","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 F2 S2 -","- C15 H20 B10 F2 S2 -","- C60 H80 B40 F8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0566","0.0404","","","0.1029","0.1145","","","","","","1.062","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127284","21.136","0.005","12.146","0.002","8.5666","0.0015","90","","90","","90","","2199.2","0.7","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H20 B10 Cl2 S2 -","- C15 H20 B10 Cl2 S2 -","- C60 H80 B40 Cl8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0389","0.0358","","","0.0908","0.0939","","","","","","1.088","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127286","19.6577","0.0009","12.2928","0.0009","8.5569","0.0004","90","","90","","90","","2067.8","0.2","297","2","297","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C15 H22 B10 Se2 -","- C15 H22 B10 Se2 -","- C60 H88 B40 Se8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0308","0.0283","","","0.0706","0.0723","","","","","","1.055","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127288","19.5554","0.0009","12.2522","0.0009","8.6766","0.0005","90","","90","","90","","2078.9","0.2","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H22 B10 O2 S2 -","- C15 H22 B10 O2 S2 -","- C60 H88 B40 O8 S8 -","4","0.5","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0528","0.0459","","","0.1112","0.1158","","","","","","1.12","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127719","16.7812","0.0005","12.2467","0.0004","6.9816","0.0002","90","","90","","90","","1434.82","0.08","300","0.11","300","0.11","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H16 Cl2 N12 O -","- C6 H16 Cl2 N12 O -","- C24 H64 Cl8 N48 O4 -","4","0.5","","Liu, Lehui; Hu, Chun-Li; Bai, Zhiyong; Yuan, Feifei; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin","2(C<sub>3</sub>H<sub>7</sub>N<sub>6</sub>)<sup>+</sup>·2Cl<sup>-</sup>·H<sub>2</sub>O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation.","Chemical communications (Cambridge, England)","2020","56","93","14657","14660","10.1039/d0cc06558g","","x-ray","1.3405","GaKα","","0.0501","0.0394","","","0.086","0.0907","","","","","","1.025","","","","has coordinates","260458","2021-01-04","17:44:32",""
"7131058","6.9611","0.0005","16.1581","0.0011","12.5919","0.0009","90","","90","","90","","1416.31","0.17","293","2","293.15","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H14 B2 Na2 O14 -","- C4 H14 B2 Na2 O14 -","- C16 H56 B8 Na8 O56 -","4","0.5","","Yan, Dong; Ma, Yao; Huang, Hongbo; Zhang, Bingbing; Tang, Ru-Ling; Hu, Liang; Mao, Fei-Fei; Zheng, Jie; Zhang, Xiu-Du; Li, Shu-Fang","Na<sub>2</sub>(C<sub>4</sub>O<sub>4</sub>)(H<sub>3</sub>BO<sub>3</sub>)(H<sub>2</sub>O)<sub>4</sub>·H<sub>3</sub>BO<sub>3</sub>: the first borate-squarate with strong SHG response obtained by superior synergy.","Chemical communications (Cambridge, England)","2022","59","2","219","222","10.1039/d2cc05307a","","","0.71073","MoKα","","0.0286","0.0268","","","0.0734","0.0744","","","","","","1.049","","","","has coordinates","281333","2023-03-04","17:44:16",""
"7131259","14.5364","0.0006","16.068","0.0006","15.1359","0.0008","90","","90","","90","","3535.3","0.3","150","","150","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H44 B2 Eu N12 O3 -","- C30 H44 B2 Eu N12 O3 -","- C120 H176 B8 Eu4 N48 O12 -","4","0.5","","Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H.","Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes.","Chemical communications (Cambridge, England)","2023","59","15","2134","2137","10.1039/d2cc03189b","","","0.71073","MoKα","","0.0867","0.0449","","","0.0798","0.0929","","","","","","0.989","","","","has coordinates","283101","2023-05-05","00:28:33",""
"7132230","15.0498","0.0016","16.3256","0.0016","10.718","0.0011","90","","90","","90","","2633.4","0.5","290","2","290","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H13 Br4 F Fe N -","- C5 H13 Br4 F Fe N -","- C40 H104 Br32 F8 Fe8 N8 -","8","1","","Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off","Chemical Communications","2023","","","","","10.1039/D3CC04700H","","","0.71073","MoKα","","0.0708","0.0567","","","0.1534","0.1612","","","","","","1.057","","","","has coordinates","287021","2023-10-18","22:00:18",""
"7132276","21.9995","0.0008","14.685","0.0005","19.4382","0.0006","90","","90","","90","","6279.8","0.4","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-alpha","","","- C32 H30.83 N6.5 Ni O7.96 -","- C32 H30.829 N6.5 Ni O7.955 -","- C256 H246.632 N52 Ni8 O63.64 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.0377","0.0331","","","0.0843","0.0877","","","","","","1.046","","","","has coordinates,has disorder","287166","2023-10-30","22:56:58",""
"7132277","21.9277","0.0015","13.381","0.0009","19.9622","0.0013","90","","90","","90","","5857.2","0.7","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-beta","","","- C30 H25.5 N6 Ni O6 -","- C30 H25.5 N6 Ni O6 -","- C240 H204 N48 Ni8 O48 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.0626","0.0418","","","0.0904","0.1001","","","","","","1.015","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132278","22.0063","0.0017","16.5739","0.0013","18.923","0.0014","90","","90","","90","","6901.8","0.9","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-gamma","","","- C34.08 H37.75 N6 Ni O8.59 -","- C32.58 H31.74 N6 Ni O7.08 -","- C260.64 H253.92 N48 Ni8 O56.64 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.1232","0.0738","","","0.1842","0.229","","","","","","1.049","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132279","21.9932","0.0012","14.6091","0.0008","19.5808","0.0012","90","","90","","90","","6291.3","0.6","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-alpha_prime","","","- C30 H26.76 N6 Ni O8.76 -","- C30 H27.02 N6 Ni O8.76 -","- C240 H216.16 N48 Ni8 O70.08 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","1.54178","CuKα","","0.097","0.0813","","","0.2268","0.244","","","","","","1.093","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132280","21.925","0.004","13.614","0.003","19.848","0.003","90","","90","","90","","5924.4","1.9","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","sql-(1,3-bib)(ndc)-Ni-beta_vacuum","","","- C30 H25.5 N6 Ni O6 -","- C30 H25.5 N6 Ni O6 -","- C240 H204 N48 Ni8 O48 -","8","1","","Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya","Water vapour induced structural flexibility in a square lattice coordination network","Chemical Communications","2023","","","","","10.1039/D3CC04109C","","","0.71073","MoKα","","0.1042","0.0796","","","0.2076","0.2344","","","","","","1.042","","","","has coordinates,has disorder","287166","2023-10-30","22:56:59",""
"7132371","15.044","0.004","10.978","0.003","7.8706","0.0019","90","","90","","90","","1299.9","0.6","300","","300","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- B2 Br Rb S6 Sr3 -","- B2 Br Rb S6 Sr3 -","- B8 Br4 Rb4 S24 Sr12 -","4","0.5","","Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie","[RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.","Chemical communications (Cambridge, England)","2023","60","1","118","121","10.1039/d3cc05205b","","","0.71073","MoKα","","0.0223","0.0222","","","0.0513","0.0514","","","","","","1.207","","","","has coordinates","289326","2024-02-04","11:02:19",""
"7150135","13.2912","0.0006","13.0775","0.0005","12.1094","0.0005","90","","90","","90","","2104.8","0.15","200","","200","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H35 N3 O3 -","- C20 H35 N3 O3 -","- C80 H140 N12 O12 -","4","0.5","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.0445","0.0387","","","0.0906","0.0928","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151143","9.304","0.0008","8.6876","0.0007","12.6963","0.0011","90","","90","","90","","1026.23","0.15","130","2","130","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","0.5","","Goh, Yit Wooi; White, Jonathan M.","Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction.","Organic & biomolecular chemistry","2007","5","15","2354","2356","10.1039/b707643f","","","0.71073","MoKα","","0.0288","0.0284","","","0.0744","0.0747","","","","","","1.078","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7155648","17.037","0.001","10.9283","0.001","8.8054","0.0006","90","","90","","90","","1639.4","0.2","100","","100","","","","","","","","","4","C m c 21","C 2c -2","36","","2,6-dibenzyltetrahydro-2H-thiopyran 1,1-dioxide","","- C19 H22 O2 S -","- C19 H22 O2 S -","- C76 H88 O8 S4 -","4","0.5","","Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo","A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00846E","","x-ray","1.54178","CuKα","","0.0644","0.0636","","","0.1697","0.1719","","","","","","1.058","","","","has coordinates","196787","2020-10-21","18:00:00",""
"7156321","23.851","0.001","7.4217","0.0004","7.8859","0.0004","90","","90","","90","","1395.92","0.12","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","1,3-diphenylimidazo[1,5-a]pyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","0.5","","Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2018","16","31","5653","5660","10.1039/c8ob01501e","","x-ray","1.54184","CuKα","","0.0334","0.0316","","","0.0834","0.0864","","","","","","1.057","","","","has coordinates","230809","2020-10-21","18:00:00",""
"7156378","24.8236","0.001","16.309","0.0006","10.9728","0.0004","90","","90","","90","","4442.3","0.3","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H56 B Cl3 N6 -","- C49 H56 B Cl3 N6 -","- C196 H224 B4 Cl12 N24 -","4","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0311","0.0293","","","0.0739","0.0754","","","","","","1.049","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7200621","26.425","0.003","27.128","0.003","10.9079","0.0014","90","","90","","90","","7819.4","1.6","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C224 H192 Ag16 Cl16 N64 O64 S48 -","8","1","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0488","0.0457","","","0.1278","0.1321","","","","","","1.061","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200633","27.788","0.005","8.6541","0.0014","8.2367","0.0013","90","","90","","90","","1980.8","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(cyclohexylammonium)tetrabromoplumbate(ii)","bis(cyclohexylammonium)tetrabromoplumbate(II)","","- C12 H28 Br4 N2 Pb -","- C12 H28 Br4 N2 Pb -","- C48 H112 Br16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.041","0.036","","","0.0892","0.0922","","","","","","1.028","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7201185","78.612","0.003","10.6365","0.0005","9.6012","0.0004","90","","90","","90","","8028.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C20 H26 Cl5 Mn2 O5 S16 -","- C20 H21 Cl5 Mn2 O5 S16 -","- C160 H168 Cl40 Mn16 O40 S128 -","8","1","","Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5]","CrystEngComm","2009","11","10","2102","","10.1039/b905840k","","","0.71073","MoKα","","0.0703","0.0504","","","0.1336","0.1428","","","","","","1.052","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201759","25.3329","0.0009","6.7202","0.0002","18.5449","0.0005","90","","90","","90","","3157.12","0.17","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H24 Cl10 Cu N4 O2 -","- C24 H24 Cl10 Cu N4 O2 -","- C96 H96 Cl40 Cu4 N16 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0376","0.0264","","","0.0545","0.0557","","","","","","0.938","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7202400","16.67","0.003","9.467","0.002","10.305","0.002","90","","90","","90","","1626.3","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0685","0.0707","","","","","","1.159","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7204134","23.388","0.002","17.227","0.002","7.655","0.001","89","","89","","90","","3083.3","0.6","298.2","","298.2","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H40 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","1.5418","CuKα","","","0.0573","","","0.0846","","","","","1.398","1.398","","","","","has coordinates","277937","2022-09-17","11:56:49",""
"7204272","20.6948","0.0007","8.789","0.0003","7.7472","0.0003","90","","90","","90","","1409.11","0.09","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C14 H10 S5 -","- C14 H10 S5 -","- C56 H40 S20 -","4","0.5","","Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar","Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT)","Journal of Materials Chemistry","2002","12","3","500","","10.1039/b109017h","","","0.71073","MoKα","","0.0231","0.0224","","","0.0579","0.0583","","","","","","1.047","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204516","14.0654","0.0004","6.8771","0.0002","6.9255","0.0003","90","","90","","90","","669.9","0.04","","","295","","","","","","","","","4","C m c 21","C 2c -2","36","Vanadyl diacetate","","","- C8 H12 O10 V2 -","- C8 O10 V2 -","- C16 O20 V4 -","2","0.25","","Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/","Journal of Materials Chemistry","2003","13","6","1420","","10.1039/b208100h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204570","45.207","0.009","6.465","0.001","7.416","0.001","90","","90","","90","","2167.4","0.6","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine","","- C27 H18 Cl N3 O2 -","- C27 H18 Cl N3 O2 -","- C108 H72 Cl4 N12 O8 -","4","0.5","","Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás","Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal","CrystEngComm","2003","5","7","42","","10.1039/b211206j","","","1.54184","CUkα","","0.0428","0.033","","","0.0904","0.0951","","","","","","1.025","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7205022","19.486","0.003","8.35","0.0014","6.557","0.003","90","","90","","90","","1066.9","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H13 N O5 S -","- C8 H13 N O5 S -","- C32 H52 N4 O20 S4 -","4","0.5","","Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.","Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates","Journal of the Chemical Society, Perkin Transactions 2","2002","","6","1066","","10.1039/b202231a","","","0.71069","MoKα","","0.0448","0.0336","","","0.0726","0.0772","","","","","","1.062","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7207353","26.283","0.006","26.418","0.006","10.625","0.002","90","","90","","90","","7377","3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C56 H48 Ag4 N20 O12 S12 -","- C56 H48 Ag4 N20 O12 S12 -","- C224 H192 Ag16 N80 O48 S48 -","4","0.5","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.1304","0.0771","","","0.1944","0.2111","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207809","22.334","0.005","20.772","0.005","20.407","0.005","90","0.005","90","0.005","90","0.005","9467","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H20 Ag10 N25 O68 P2 W18 -","- C30 H20 Ag10 N25 O68 P2 W18 -","- C120 H80 Ag40 N100 O272 P8 W72 -","4","0.5","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0377","0.0338","","","0.0644","0.0657","","","","","","1.049","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207935","18.037","0.002","24.308","0.003","6.9817","0.0009","90","","90","","90","","3061.1","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 Er N O10 -","- C26 H15 Er O9 -","- C104 H60 Er4 O36 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.0274","0.0253","","","0.0616","0.0625","","","","","","1.077","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207936","18.0366","0.001","24.1755","0.0013","6.9866","0.0004","90","","90","","90","","3046.5","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 N O10 Y -","- C26 H15 O9 Y -","- C104 H60 O36 Y4 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.056","0.0489","","","0.1217","0.1255","","","","","","1.084","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208243","36.593","0.007","12.589","0.003","10.619","0.002","90","","90","","90","","4891.8","1.8","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H38 Li12 O49 S6 -","- C18 H38 Li12 O49 S6 -","- C72 H152 Li48 O196 S24 -","4","0.5","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0558","0.0496","","","0.1239","0.129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208657","7.542","0.004","10.176","0.005","10.161","0.005","90","","90","","90","","779.8","0.7","296","2","296","2","400000","","","","","","","4","C m c 21","C 2c -2","36","dabcoHBr","1,4-diazabicyclo[2.2.2]octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C24 H52 Br4 N8 -","4","0.5","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","","","0.71073","MoKα","","0.0598","0.0449","","","0.0637","0.072","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209367","11.791","","7.079","","6.344","","90","","90","","90","","529.524","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ag2 Ge S3 -","- Ag2 Ge S3 -","- Ag8 Ge4 S12 -","4","0.5","","Nagel, A.; Range, K.J.","Verbindungsbildung im System Ag2 S-Ge Se2-Ag I","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","1461","1464","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210421","25.2998","0.0038","16.844","0.0027","7.88987","0.00081","90","","90","","90","","3362.3","0.8","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:acridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","2.421","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210422","27.7697","0.0034","15.4238","0.002","7.98164","0.00085","90","","90","","90","","3418.7","0.7","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:phenantridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","4.176","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210425","27.6912","0.0012","15.3574","0.0009","7.8814","0.0004","90","","90","","90","","3351.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0521","0.0383","","","0.0756","0.0808","","","","","","0.972","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210786","4.6628","0.0017","7.013","0.003","13.081","0.005","90","","90","","90","","427.8","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br3 Hg2 I -","- Br3 Hg2 I -","- Br6 Hg4 I2 -","2","0.25","","Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui","Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region","CrystEngComm","2013","15","20","4196","","10.1039/c3ce40213d","","","0.71073","MoKα","","0.0407","0.0386","","","0.0983","0.099","","","","","","1.084","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7211093","21.3091","0.0013","27.1193","0.0014","32.2464","0.0012","90","","90","","90","","18634.8","1.6","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C167 H151 Mn10 N15 O44 P8 -","- C167 H151 Mn10 N15 O44 P8 -","- C668 H604 Mn40 N60 O176 P32 -","4","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0519","0.051","","","0.1238","0.1241","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213104","17.06","0.007","17.922","0.005","5.552","0.002","90","","90","","90","","1697.5","1","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C19 H22 O5 -","- C19 H21 O5 -","- C76 H84 O20 -","4","0.5","","Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A.","Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2557","","10.1039/a904180j","","","0.71073","MoKα","","0.0863","0.0494","","0.1252","0.1097","","","","0.916","1.116","1.116","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213533","9.2822","0.0005","16.716","0.002","11.704","0.002","90","","90","","90","","1816","0.4","297","2","297","2","","","","","","","synthesis as described","4","C m c 21","C 2c -2","36","","","","- C15 H28 N2 O5 -","- C15 H31 N2 O5 -","- C60 H124 N8 O20 -","4","0.5","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","x-ray","0.71073","MoKα","","0.0377","0.0308","","","0.0825","0.0873","","","","","","1.054","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213590","6.309","0.0006","10.7274","0.0009","6.3907","0.0006","90","","90","","90","","432.52","0.07","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0526","0.0384","","","0.0792","0.083","","","","","","0.999","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213591","6.503","0.013","10.85","0.02","6.429","0.013","90","","90","","90","","453.6","1.5","291","2","291","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0212","0.019","","","0.0398","0.0406","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7215114","4.328","0.004","19.117","0.016","13.181","0.01","90","","90","","90","","1090.6","1.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Bi In Se5 -","- Ba2 Bi In Se5 -","- Ba8 Bi4 In4 Se20 -","4","0.5","","Lin, Chen-Sheng; Luo, Zhong-Zhen; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long","Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te)","Journal of Materials Chemistry","2012","22","40","21713","","10.1039/c2jm34775j","","","0.71073","MoKα","","0.0411","0.0297","","","0.0506","0.0547","","","","","","0.648","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215321","11.856","0.008","12.019","0.008","16.688","0.012","90","","90","","90","","2378","3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H20 Cd3 Cl3 N11 O2 -","- C12 H20 Cd3 Cl3 N11 O2 -","- C48 H80 Cd12 Cl12 N44 O8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0463","0.0418","","","0.0929","0.0956","","","","","","1.072","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215447","8.9981","0.00024","8.05617","0.00021","11.7678","0.00026","90","","90","","90","","853.05","0.04","298","","298","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B4 Ca3 D12 O3 -","- B4 Ca3 D12 O3 -","- B16 Ca12 D48 O12 -","4","0.5","","Riktor, M. D.; Filinchuk, Y.; Vajeeston, P.; Bardají, E. G.; Fichtner, M.; Fjellvåg, H.; Sørby, M. H.; Hauback, B. C.","The crystal structure of the first borohydride borate, Ca3(BD4)3(BO3)","Journal of Materials Chemistry","2011","21","20","7188","","10.1039/c1jm00074h","powder diffraction","","","","","","","","","","","","","72.44","","","","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215908","22.245","0.002","13.6954","0.0014","7.5899","0.0008","90","","90","","90","","2312.3","0.4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H22 N2 O8 Pd S4 -","- C18 H22 N2 O8 Pd S4 -","- C72 H88 N8 O32 Pd4 S16 -","4","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0418","0.0396","","","0.0993","0.1004","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216469","6.314","0.01","5.031","0.009","7.334","0.009","90","","90","","90","","233","0.6","295","2","295","2","","","1220000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0357","0.0302","","","0.0476","0.053","","","","","","1.216","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216470","6.183","0.01","4.904","0.005","7.317","0.017","90","","90","","90","","221.9","0.7","295","2","295","2","","","1690000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.019","0.014","","","0.0202","0.0216","","","","","","1.283","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216471","6.018","0.005","4.832","0.011","7.035","0.011","90","","90","","90","","204.6","0.6","295","2","295","2","","","2910000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0221","","","","","","1.111","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216472","5.967","0.015","4.708","0.004","6.984","0.015","90","","90","","90","","196.2","0.7","295","2","295","2","","","4380000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0212","0.0208","","","0.0474","0.0476","","","","","","1.278","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216475","6.387","0.009","5.163","0.005","7.492","0.005","90","","90","","90","","247.1","0.5","295","2","295","2","","","1550000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0473","0.039","","","0.0712","0.0756","","","","","","1.171","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216476","6.378","0.01","5.133","0.009","7.413","0.009","90","","90","","90","","242.7","0.6","295","2","295","2","","","1830000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0363","0.0273","","","0.05","0.0545","","","","","","1.196","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216477","6.236","0.005","5.017","0.006","7.394","0.019","90","","90","","90","","231.3","0.7","295","2","295","2","","","2850000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0171","0.0145","","","0.0316","0.0325","","","","","","1.123","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7217734","16.3889","0.001","8.8163","0.0003","14.1318","0.0004","90","","90","","90","","2041.9","0.15","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C16 H22 Cl2 N4 O4 Pd -","- C16 H18 Cl2 N4 O4 Pd -","- C64 H72 Cl8 N16 O16 Pd4 -","4","0.5","","Kumar, Alok; Purkait, Kallol; Dey, Suman Kr.; Sarkar, Amrita; Mukherjee, Arindam","A hydroquinone based palladium catalyst for room temperature nitro reduction in water","RSC Advances","2014","4","66","35233","","10.1039/C4RA06547F","","","0.71073","MoKα","","0.0386","0.0342","","","0.0752","0.0798","","","","","","1.072","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7218677","3.937","0.003","14.488","0.009","5.638","0.004","90","","90","","90","","321.6","0.4","473","2","473","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F16 Mg4 Sr4 -","4","0.5","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0522","0.052","","","0.128","0.1283","","","","","","1.104","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7222498","9.684","","11.946","","5.905","","90","","90","","90","","683.12","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Na3 (V S3 O)","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222729","3.747","","24.102","","5.332","","90","","90","","90","","481.534","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Cs0.8 (Zr2 Se6)","","- Cs0.8 Se6 Zr2 -","- Cs0.8 Se6 Zr2 -","- Cs1.6 Se12 Zr4 -","2","0.25","","Klepp, K.O.; Harringer, N.A.; Kolb, A.","K1.10 Zr2 Se6, Rb0.86 Zr2 Se6 and Cs0.80 Zr2 Se6. The first intercalation compounds of zirconium triselenide","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","1265","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","164569","2020-10-21","18:00:00",""
"7222951","9.021","","15.361","","23.565","","90","","90","","90","","3265.44","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Na5 (In Te3)2","","- In2 Na5 Te6 -","- In2 Na5 Te6 -","- In16 Na40 Te48 -","8","1","","Eisenmann, B.; Hofmann, A.; Zagler, R.","Na5InTe4 und Na5In2Te6 - Erste Beispiele fuer Neso- sowie Ditelluro-verbrueckte Inotelluroindate","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","8","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","168724","2020-10-21","18:00:00",""
"7223024","6.6923","0.0002","7.5956","0.0002","22.7742","0.0006","90","","90","","90","","1157.66","0.06","173","2","173","2","","","101.3","","","","","4","C m c 21","C 2c -2","36","3HNHPI","3-Hydroxy-N-cyclohexylphthalimide","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Kanosue, Kenta; Ando, Shinji","Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.","Physical chemistry chemical physics : PCCP","2015","17","45","30659","30669","10.1039/c5cp05055c","","x-ray","1.54186","CuKα","","0.0371","0.0342","","","0.0892","0.0933","","","","","","1.113","","","","has coordinates","171363","2020-10-21","18:00:00",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7227500","9.3844","0.0011","44.834","0.006","12.4159","0.0016","90","","90","","90","","5223.9","1.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba10 Ga2 Se22 Sn9 -","- Ba10 Ga2 Se22 Sn9 -","- Ba40 Ga8 Se88 Sn36 -","4","0.5","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.048","0.0418","","","0.0873","0.0897","","","","","","0.981","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7228085","24.742","0.003","33.475","0.003","18.4621","0.0019","90","","90","","90","","15291","3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","NJFU-3","NJFU-3","","- C69 H36 Cu6 O33 -","- C69 H36 Cu6 O33 -","- C276 H144 Cu24 O132 -","4","0.5","","Du, Liting; Lu, Zhiyong; Xu, Li; Zhang, Jinchi","A new mfj-type metal‒organic framework constructed from a methoxyl derived V-shaped ligand and its H2, CO2 and CH4 adsorption properties","RSC Adv.","2017","7","34","21268","","10.1039/C7RA02122D","","","0.71073","MoKα","","0.1022","0.0729","","","0.1842","0.1967","","","","","","0.984","","","","has coordinates,has disorder","195442","2020-10-21","18:00:00",""
"7229301","24.6","0.002","33.412","0.003","18.478","0.002","90","","90","","90","","15188","2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","HHU-3","HHU-3","","- C66 H33 Cu6 N3 O30 -","- C66 H33 Cu6 N3 O30 -","- C264 H132 Cu24 N12 O120 -","4","0.5","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.104","0.0604","","","0.1201","0.1309","","","","","","0.898","","","","has coordinates","201851","2020-10-21","18:00:00",""
"7229436","3.5255","0.0006","20.563","0.004","13.666","0.002","90","","90","","90","","990.7","0.3","293","2","293","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- P Si -","- P Si -","- P24 Si24 -","24","3","","Li, Chunlong; Wang, Shanpeng; Zhang, Xixia; Jia, Ning; Yu, Tongtong; Zhu, Min; Liu, Duo; Tao, Xutang","Controllable Seeded Flux Growth and Optic-electric Properties of Bulk o-SiP Crystals","CrystEngComm","2017","","","","","10.1039/C7CE01676J","","","0.71073","MoKα","","0.0187","0.0185","","","0.0494","0.0496","","","","","","1.109","","","","has coordinates","202441","2020-10-21","18:00:00",""
"7230034","32.227","0.009","14.685","0.006","14.001","0.006","90","","90","","90","","6626","4","100","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C8 H20 Cl5 In N2 O2 -","- C8 H20 Cl5 In N2 O2 -","- C128 H320 Cl80 In16 N32 O32 -","16","2","","Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard","Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties","CrystEngComm","2018","20","6","703","","10.1039/C7CE01756A","","","0.71073","MoKα","","0.0216","0.0194","","","0.0426","0.043","","","","","","0.985","","","","has coordinates","229006","2020-10-21","18:00:00",""
"7231056","13.9249","0.0004","14.7811","0.0004","6.9732","0.0002","90","","90","","90","","1435.26","0.07","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis(2-methylimidazole)di(μ-S,N-thiocyanate) cadmium(II)","","- C10 H12 Cd N6 S2 -","- C10 H12 Cd N6 S2 -","- C40 H48 Cd4 N24 S8 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0205","0.0194","","","0.0436","0.0441","","","","","","1.032","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231640","11.3449","0.0003","20.7592","0.0006","17.6129","0.0006","90","","90","","90","","4148","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","1","0.125","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0879","0.0926","","","","","","1.053","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7233561","7.2633","0.0002","10.0645","0.0001","10.0786","0.0002","90","","90","","90","","736.76","0.03","120","0.1","120","0.1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.028","0.0257","","","0.061","0.0624","","","","","","1.077","","","","has coordinates","217840","2020-10-21","18:00:00",""
"7233562","7.368","0.006","10.076","0.002","10.227","0.005","90","0.04","90","0.06","90","0.06","759.3","0.7","295","1","295","1","","","","","","","","4","C m c 21","C 2c -2","36","dabco hydrochloride","1,4diazabicyclo[2.2.2]octane hydrochloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","0.5","","Marek Szafranski","Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns","Journal of Materials Chemistry C","2012","1","","7904","7913","10.1039/C3TC31609B","","","0.71073","MoKα","","0.0324","0.0257","","","0.0708","0.0731","","","","","","1.064","","","","has coordinates","217841","2020-10-21","18:00:00",""
"7233887","6.758","0.01","13.15","0.02","9.269","0.014","90","","90","","90","","824","2","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H6 Br N3 O2 -","- C5 H6 Br N3 O2 -","- C20 H24 Br4 N12 O8 -","4","0.5","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.065","0.0486","","","0.1418","0.1712","","","","","","1.219","","","","has coordinates","218344","2020-10-21","18:00:00",""
"7234015","24.9038","0.001","33.4493","0.0012","18.3388","0.0007","90","","90","","90","","15276.5","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H58 Cu2 N6 O17 -","- C22 H10 Cu2 O10 -","- C264 H120 Cu24 O120 -","12","1.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","1.54178","CuKα","","0.047","0.0447","","","0.1253","0.1285","","","","","","1.004","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234142","18.0718","0.0006","7.8465","0.0003","9.9048","0.0003","90","","90","","90","","1404.5","0.08","128.55","0.1","128.55","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H2 Mn1.5 Na O8 S1.5 -","- H2 Mn1.5 Na O8 S1.5 -","- H16 Mn12 Na8 O64 S12 -","8","1","","Huan-Cheng Hu; Chun-Shuai Cao; Yang Yang; Peng Cheng; Bin Zhao","A triangular [Mn3] cluster-based ferrimagnet with significant magnetic entropy change","Journal of Materials Chemistry C","2015","3","","3494","3499","10.1039/C4TC02958E","","","0.71073","MoKα","","0.0348","0.0334","","","0.084","0.0858","","","","","","1.082","","","","has coordinates","218824","2020-10-21","18:00:00",""
"7234515","5.2804","0.0002","20.0535","0.0009","6.907","0.0003","90","","90","","90","","731.39","0.05","25","2","25","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Ba Bi Cl O6 Se2 -","- Ba Bi Cl O6 Se2 -","- Ba4 Bi4 Cl4 O24 Se8 -","4","0.5","","Lei Geng; Qiang Li; Chang-Yu Meng; Kai Dai; Hong-Yan Lu; Chen-Sheng Lin; Wen-Dan Cheng","BaBi(SeO3)2Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions","Journal of Materials Chemistry C","2015","3","","12290","12296","10.1039/C5TC02925B","","","0.71073","MoKα","","0.0216","0.0211","","","0.0658","0.0662","","","","","","0.993","","","","has coordinates","219243","2020-10-21","18:00:00",""
"7235144","5.624","0.007","11.351","0.014","7.744","0.009","90","","90","","90","","494.4","1","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Li O4 P Rb2 -","- Li O4 P Rb2 -","- Li4 O16 P4 Rb8 -","4","0.5","","Lin Li; Ying Wang; Bing-Hua Lei; Shujuan Han; Zhihua Yang; Hongyi Li; Shilie Pan","LiRb2PO4: a new deep-ultraviolet nonlinear optical phosphate with a large SHG response","Journal of Materials Chemistry C","2017","5","","269","274","10.1039/C6TC04565K","","","0.71073","MoKα","","0.0323","0.0304","","","0.0675","0.0679","","","","","","1.033","","","","has coordinates","230982","2020-10-21","18:00:00",""
"7235347","18.8926","0.0006","17.6085","0.0006","17.0599","0.0006","90","","90","","90","","5675.3","0.3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C36 H48 Cl4 N12 O23 Pd2 -","- C36 H48 Cl4 N12 O23 Pd2 -","- C144 H192 Cl16 N48 O92 Pd8 -","4","0.5","","Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine","RSC Advances","2014","4","36","18595","","10.1039/c3ra47904h","","","0.71073","MoKα","","0.0465","0.0405","","","0.1244","0.1341","","","","","","1.122","","","","has coordinates","232710","2020-10-21","18:00:00",""
"7235948","22.372","0.0018","10.6579","0.0009","8.0526","0.0007","90","","90","","90","","1920.1","0.3","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H25 B F2 N2 O2 -","- C21 H25 B F2 N2 O2 -","- C84 H100 B4 F8 N8 O8 -","4","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0384","0.0314","","","0.0675","0.0701","","","","","","1.059","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7236074","24.345","0.004","20.477","0.003","19.098","0.003","90","","90","","90","","9521","3","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C66 H88 N16 Ni2 O21 -","- C50 H32 N12 Ni2 O5 -","- C200 H128 N48 Ni8 O20 -","4","0.5","","Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe","A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities","Journal of Materials Chemistry A","2015","3","30","15399","","10.1039/C5TA03493K","","","0.71073","MoKα","","0.0307","0.0298","","","0.0828","0.0836","","","","","","1.062","","","","has coordinates,has disorder","233901","2020-10-21","18:00:00",""
"7236477","10.8029","0.0004","15.9579","0.0005","14.6015","0.0003","90","","90","","90","","2517.18","0.13","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C19.09 H34 Cl N O12.22 -","- C19.09 H34 Cl N O12.218 -","- C76.36 H136 Cl4 N4 O48.872 -","4","0.5","","Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua","A supra-molecular switchable dielectric material with non-linear optical properties","Journal of Materials Chemistry C","2017","5","11","2865","","10.1039/C6TC05574E","","","1.54184","CuKα","","0.0875","0.0823","","","0.2434","0.2538","","","","","","1.944","","","","has coordinates,has disorder","235565","2020-10-21","18:00:00",""
"7236688","7.2991","0.0012","18.472","0.003","12.541","0.002","90","","90","","90","","1690.9","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","0.5","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71073","MoKα","","0.021","0.0188","","","0.0418","0.043","","","","","","1.061","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236936","14.8064","0.0006","14.966","0.0004","14.0417","0.0004","90","","90","","90","","3111.54","0.18","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Co Dy N10 O8 -","- C26 H28 Co Dy N10 O8 -","- C104 H112 Co4 Dy4 N40 O32 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0178","0.0145","","","0.0285","0.0288","","","","","","0.894","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7236937","14.8508","0.0009","15.1527","0.001","14.0756","0.001","90","","90","","90","","3167.4","0.4","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Dy N10 O8 Rh -","- C26 H28 Dy N10 O8 Rh -","- C104 H112 Dy4 N40 O32 Rh4 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0542","0.0456","","","0.067","0.0689","","","","","","1.113","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7237621","8.692","0.0002","15.055","0.0002","21.9675","0.0006","90","","90","","90","","2874.62","0.11","189.9","0.2","189.9","0.2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H15 Bi2 I9 N6 -","- C3 H15 Bi2 I9 N6 -","- C12 H60 Bi8 I36 N24 -","4","0.5","","Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka","Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9","Journal of Materials Chemistry C","2019","7","10","3003","","10.1039/C8TC06458J","","x-ray","0.71073","MoKα","","0.0792","0.0631","","","0.1929","0.206","","","","","","1.206","","","","has coordinates","237813","2020-10-21","18:00:00",""
"7237648","32.798","0.005","8.9632","0.0011","8.6995","0.0012","90","","90","","90","","2557.4","0.6","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C11.96 H31.91 I4 N2 Pb -","- C11.94 H31.88 I4 N2 Pb -","- C47.76 H127.52 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","0.7","MoKα","","0.0968","0.0595","","","0.1472","0.1874","","","","","","1.023","","","","has coordinates,has disorder","238468","2020-10-21","18:00:00",""
"7237658","4.5887","0.0009","27.262","0.005","26.789","0.005","90","","90","","90","","3351.2","1.1","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","MA2Pb3I8 DMSO complex","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 H25 I8 N2 O2 Pb3 S2 -","- C24 H100 I32 N8 O8 Pb12 S8 -","4","0.5","","Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance","Journal of Materials Chemistry A","2019","7","28","16947","","10.1039/C9TA02142F","","","0.71073","MoKa","","0.0364","0.0322","","","0.0763","0.0985","","","","","","1.178","","","","has coordinates,has disorder","238477","2020-10-21","18:00:00",""
"7238546","20.428","0.004","12.905","0.002","6.973","0.0012","90","","90","","90","","1838.2","0.6","150.1","","150.1","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C26 H18 N4 Ni -","- C26 H18 N4 Ni -","- C104 H72 N16 Ni4 -","4","0.5","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.7107","MoKα","","","0.0377","","","","0.0962","","","","","","1.072","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7239240","15.261","0.0003","18.519","0.0004","16.233","0.0003","90","","90","","90","","4587.75","0.16","100","0.5","100","0.5","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C50 H43 N3 O8 P2 Ru -","- C50 H43 N3 O8 P2 Ru -","- C200 H172 N12 O32 P8 Ru4 -","4","0.5","","Kamatchi, Thangavel Sathiya; Kalaivani, Palaniappan; Poornima, Paramasivan; Padma, Viswanadha Vijaya; Fronczek, Frank R.; Natarajan, Karuppannan","New organometallic ruthenium(ii) complexes containing chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid): synthesis, structure and in vitro biological activity","RSC Adv.","2014","4","4","2004","","10.1039/C3RA43865A","","","0.71073","MoKα","","0.0323","0.0292","","","0.0692","0.0712","","","","","","1.024","","","","has coordinates","244614","2020-10-21","18:00:00",""
"7239748","13.9788","0.0008","11.5307","0.0008","7.4437","0.0003","90","","90","","90","","1199.82","0.12","298","","298","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C13 H11 Cl Cu N3 -","- C13 H11 Cl Cu N3 -","- C52 H44 Cl4 Cu4 N12 -","4","0.5","","Shemchuk, Oleksii; Braga, Dario; Grepioni, Fabrizia; Turner, Raymond J.","Co-crystallization of antibacterials with inorganic salts: paving the way to activity enhancement","RSC Advances","2020","10","4","2146","2149","10.1039/C9RA10353H","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0184","2.47454","","","","","","","has coordinates","258038","2020-10-21","18:00:00",""
"7239896","10.1522","0.0003","33.2337","0.0012","12.3547","0.0004","90","","90","","90","","4168.4","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10.5 H4.5 Cd N1.5 O6 -","- C10.5 H4.5 Cd N1.5 O6 -","- C84 H36 Cd8 N12 O48 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0207","0.0198","","","0.0507","0.0512","","","","","","1.015","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239998","29.8653","0.0017","10.2827","0.0004","10.8622","0.0007","90","","90","","90","","3335.7","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C132 H180 B12 O24 -","12","1.5","","Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi","An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte","RSC Advances","2020","10","15","8780","8789","10.1039/C9RA09559D","","","0.71073","MoKα","","0.0911","0.0545","","","0.1385","0.1644","","","","","","1.014","","","","has coordinates,has disorder","258105","2020-10-21","18:00:00",""
"7240276","30.5126","0.001","9.6815","0.0003","7.3786","0.0002","90","","90","","90","","2179.7","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.028","0.0263","","","0.0642","0.0653","","","","","","1.087","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240775","65.1891","0.0018","7.4274","0.0002","5.7999","0.0002","90","","90","","90","","2808.23","0.15","123","","123","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H28 O2 S3 -","- C38 H28 O2 S3 -","- C152 H112 O8 S12 -","4","0.5","","Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao","Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application","RSC Advances","2020","10","40","24057","24062","10.1039/D0RA04742B","","","0.71075","MoKα","","0.0472","0.0429","","","0.1058","0.1077","","","","","","1.065","","","","has coordinates","258083","2020-10-21","18:00:00",""
"7240907","24.63","0.03","19.1","0.03","14.9","0.02","90","","90","","90","","7009","17","296.15","","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C68 H76 O24 Ti7 -","- C68 H76 O24 Ti7 -","- C272 H304 O96 Ti28 -","4","0.5","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1629","0.0852","","","0.169","0.2079","","","","","","1.122","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7241568","21.851","0.002","21.0544","0.0019","16.796","0.0015","90","","90","","90","","7727.2","1.2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C72 H114 N20 Ni12 O78 P2 W18 -","- C72 N20 Ni12 O78 P2 W18 -","- C144 N40 Ni24 O156 P4 W36 -","2","0.25","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0378","0.0317","","","0.0842","0.0876","","","","","","0.993","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7242915","14.177","0.003","11.34","0.002","12.075","0.002","90","","90","","90","","1941.3","0.6","98","2","98","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H23 Cl2 N5 O Zn -","- C17 H23 Cl2 N5 O Zn -","- C68 H92 Cl8 N20 O4 Zn4 -","4","0.5","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0534","0.0526","","","0.1597","0.1601","","","","","","1.198","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7700864","16.944","0.002","34.231","0.005","9.7978","0.0011","90","","90","","90","","5682.8","1.2","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C52 H44 Cl7 Fe N4 Sb -","- C52 H44 Cl7 Fe N4 Sb -","- C208 H176 Cl28 Fe4 N16 Sb4 -","4","0.5","","Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.","Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","36","13820","13833","10.1039/c9dt02714a","","","0.71073","MoKα","","0.039","0.0368","","","0.1213","0.1244","","","","","","1.045","","","","has coordinates","224481","2020-10-21","18:00:00",""
"7701039","17.0895","0.0006","15.2842","0.0005","10.1011","0.0003","90","","90","","90","","2638.4","0.15","100","2","100.01","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H12 Br2 Cu2 F12 N4 -","- C21 H12 Br2 Cu2 F12 N4 -","- C84 H48 Br8 Cu8 F48 N16 -","4","0.5","","Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika","Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15782","15794","10.1039/c9dt03350e","","","0.71073","MoKα","","0.0239","0.0218","","","0.0501","0.0511","","","","","","1.073","","","","has coordinates,has disorder","224033","2020-10-21","18:00:00",""
"7701255","6.7891","0.0004","6.9057","0.0003","17.1652","0.0009","90","","90","","90","","804.76","0.07","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","3,5-bis(trifluoromethyl)pyrazole-4-carboxylic acid","","","- C6 H2 F6 N2 O2 -","- C6 H2 F6 N2 O2 -","- C24 H8 F24 N8 O8 -","4","0.5","","Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D.","CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15236","15246","10.1039/c9dt02133g","","","0.71073","MoKα","","0.0679","0.0668","","","0.1437","0.1447","","","","","","1.208","","","","has coordinates","224246","2020-10-21","18:00:00",""
"7701605","42.92","0.006","8.7431","0.0011","8.6629","0.0014","90","","90","","90","","3250.8","0.8","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C28 H28 I4 N2 Pb -","- C28 H32 I4 N2 Pb -","- C112 H128 I16 N8 Pb4 -","4","0.5","","Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram","Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14019","14026","10.1039/c9dt03074c","","","0.71073","MoKα","","0.0927","0.0533","","","0.0814","0.0892","","","","","","1.436","","","","has coordinates","223317","2020-10-21","18:00:00",""
"7702883","11.8184","0.0002","11.02252","0.00016","18.9571","0.0002","90","","90","","90","","2469.51","0.06","100","","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H25 Cl2 Fe N9 O2 -","- C21 H25 Cl2 Fe N9 O2 -","- C84 H100 Cl8 Fe4 N36 O8 -","4","0.5","","Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.","Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","8024","8034","10.1039/c1dt10712g","","","1.5418","CuKα","","0.0303","0.0293","","","0.078","0.0783","","","","","","1.045","","","","has coordinates,has disorder","244150","2020-10-21","18:00:00",""
"7704471","22.579","0.005","18.004","0.004","17.445","0.004","90","","90","","90","","7092","3","150","2","150","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C20.67 H18 Cl F3 N1.67 O3 S Sb0.67 -","- C20.6667 H18 Cl F3 N1.66667 O3 S Sb0.666667 -","- C248 H216 Cl12 F36 N20 O36 S12 Sb8 -","12","1.5","","Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.","Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7507","7513","10.1039/d0dt00777c","","","0.71073","MoKα","","0.0394","0.0368","","","0.096","0.0976","","","","","","1.073","","","","has coordinates","253874","2020-10-21","18:00:00",""
"7705096","16.4524","0.0003","12.3781","0.0002","18.0939","0.0003","90","","90","","90","","3684.81","0.11","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H58 Br2 O2 Ti -","- C36 H58 Br2 O2 Ti -","- C144 H232 Br8 O8 Ti4 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","0.71073","MoKα","","0.0291","0.0273","","","0.0677","0.0686","","","","","","1.054","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705288","13.858","0.005","15.952","0.004","20.649","0.005","90","","90","","90","","4565","2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O43 V -","- C5 H51 Mo9 N6 O43 V -","- C20 H204 Mo36 N24 O172 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.017","0.0168","","","0.0488","0.0489","","","","","","1.141","","","","has coordinates","257516","2020-10-21","18:00:00",""
"7705289","13.8761","0.0009","16.0198","0.001","20.6578","0.0013","90","","90","","90","","4592.1","0.5","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C5 H51 Mo9 N6 O44 V -","- C5 H51 Mo9 N6 O44 V -","- C20 H204 Mo36 N24 O176 V4 -","4","0.5","","Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin","{VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12950","12954","10.1039/d0dt02506b","","","0.71073","MoKα","","0.0278","0.026","","","0.0677","0.0693","","","","","","1.075","","","","has coordinates,has disorder","257516","2020-10-21","18:00:00",""
"7706767","14.84971","0.00013","12.54652","0.00011","13.80599","0.00013","90","","90","","90","","2572.22","0.04","293","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","[MoOCl(dmpe)2)(O)(MoOCl4)","","- C12 H32 Cl5 Mo2 O2 P4 -","- C12 H32 Cl5 Mo2 O2 P4 -","- C48 H128 Cl20 Mo8 O8 P16 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0095","0.0095","","","0.0245","0.0245","","","","","","1.103","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7707091","14.982","0.003","12.1208","0.0017","8.5138","0.0011","90","","90","","90","","1546.1","0.4","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H16 N4 O8 P4 -","- C8 H16 N4 O8 P4 -","- C32 H64 N16 O32 P16 -","4","0.5","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.0371","0.0336","","","0.0821","0.0852","","","","","","1.094","","","","has coordinates,has disorder","266018","2021-06-05","18:35:15",""
"7707724","9.9628","0.0005","14.1773","0.0006","14.0487","0.0004","90","","90","","90","","1984.32","0.14","295","2","295","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H16 Cd N10 -","- C16 H16 Cd N10 -","- C64 H64 Cd4 N40 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam","Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10580","10592","10.1039/d1dt01675j","","","0.71073","MoKα","","0.0445","0.0268","","","0.0528","0.0584","","","","","","1.016","","","","has coordinates,has disorder","268775","2021-09-06","11:16:53",""
"7707733","28.881","0.006","8.709","0.0017","8.638","0.0017","90","","90","","90","","2172.7","0.8","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","","","0.1271","0.0928","","","0.2535","0.279","","","","","","1.599","","","","has coordinates","268700","2021-09-06","10:51:51",""
"7708135","19.051","0.008","10.726","0.003","8.612","0.003","90","","90","","90","","1759.8","1.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B6 Ba1.25 O11 Pb0.75 -","- B6 Ba1.25 O11 Pb0.75 -","- B48 Ba10 O88 Pb6 -","8","1","","Liu, Kaitong; Han, Jian; Pan, Shilie","Ba<sub>2.5</sub>Pb<sub>1.5</sub>B<sub>12</sub>O<sub>22</sub>: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba<sub>2</sub>B<sub>6</sub>O<sub>11</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13031","13036","10.1039/d1dt01368h","","","0.71073","MoKα","","0.0238","0.0212","","","0.0527","0.0542","","","","","","1.075","","","","has coordinates,has disorder","269705","2021-10-06","15:32:22",""
"7709000","18.729","0.0005","14.8702","0.0004","11.1918","0.0004","90","","90","","90","","3116.96","0.16","100","1","100","1","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C29 H35 Cl2 Er N6 O4 -","- C29 H35 Cl2 Er N6 O4 -","- C116 H140 Cl8 Er4 N24 O16 -","4","0.5","","Spillecke, Lena; Koo, Changhyun; Maximova, Olga; Mironov, Vladimir S.; Kopotkov, Vycheslav A.; Korchagin, Denis V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.; Klingeler, Rüdiger","Magnetic behavior of the novel pentagonal-bipyramidal erbium(iii) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis","Dalton Transactions","2021","","","","","10.1039/D1DT03228C","","","0.71073","MoKα","","0.0398","0.0331","","","0.0533","0.0551","","","","","","0.96","","","","has coordinates,has disorder","270992","2021-12-02","23:56:07",""
"7709449","15.235","0.004","21.548","0.005","6.698","0.002","90","","90","","90","","2198.8","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H25.5 Ga Li O9.25 -","- C18 H25.5 Ga Li O9.25 -","- C72 H102 Ga4 Li4 O37 -","4","0.5","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","x-ray","0.71073","MoKα","","0.1533","0.0757","","","0.1037","0.1309","","","","","","1.007","","","","has coordinates,has disorder","272894","2022-02-10","00:00:44",""
"7710802","17.016","0.0006","11.6364","0.0004","20.0189","0.0007","90","","90","","90","","3963.8","0.2","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C50 H52 N Nb -","- C50 H52 N Nb -","- C200 H208 N4 Nb4 -","4","0.5","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","0.71073","MoKα","","0.034","0.0316","","","0.0799","0.0815","","","","","","1.113","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7711695","29.577","0.008","28.974","0.008","17.758","0.005","90","","90","","90","","15218","7","193","","193","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C93 H92 N7 O66 Zn13 -","- C93 H92 N7 O66 Zn13 -","- C372 H368 N28 O264 Zn52 -","4","0.5","","Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang","Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT02303B","","","0.71073","MoKα","","0.0685","0.0561","","","0.1597","0.1715","","","","","","0.814","","","","has coordinates,has disorder","279044","2022-11-07","23:54:22",""
"7711696","29.4994","0.001","28.8734","0.0009","17.7149","0.0006","90","","90","","90","","15088.6","0.9","296.15","","296.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C102 H117 Co2 N10 O74 Zn12 -","- C102 H117 Co2 N10 O74 Zn12 -","- C408 H468 Co8 N40 O296 Zn48 -","4","0.5","","Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang","Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT02303B","","","0.71073","MoKα","","0.0661","0.0517","","","0.1309","0.1393","","","","","","1.033","","","","has coordinates,has disorder","279044","2022-11-07","23:54:22",""
"7713244","8.1624","0.0001","19.0919","0.0003","6.7941","0.0001","90","","90","","90","","1058.76","0.03","220","2","220","2","","","","","","","","6","C m c 21","C 2c -2","36","pyridine dicarbonitrile triflate","","","- C8 H4 F3 N3 O3 S -","- C8 H4 F3 N3 O3 S -","- C32 H16 F12 N12 O12 S4 -","4","0.5","","Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L.","Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf].","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8536","8539","10.1039/d3dt01765f","","","1.54184","CuKα","","0.0269","0.0266","","","0.0707","0.0709","","","","","","1.05","","","","has coordinates","284607","2023-06-29","10:42:49",""
"7715445","29.8348","0.0019","11.0642","0.0004","13.2894","0.0005","90","","90","","90","","4386.8","0.4","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","ZnTIA","","","- C34 H27 N9 O14 Zn2 -","- C34 H27 N9 O14 Zn2 -","- C136 H108 N36 O56 Zn8 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.078","0.0613","","","0.1589","0.172","","","","","","1.091","","","","has coordinates","291644","2024-05-05","03:04:42",""
"7715446","29.746","0.002","11.0402","0.0007","13.3648","0.0007","90","","90","","90","","4389","0.5","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","Co-5TIA-X","","","- C34 H27 Co2 N9 O14 -","- C34 H27 Co2 N9 O14 -","- C136 H108 Co8 N36 O56 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.0771","0.0659","","","0.1961","0.2126","","","","","","1.09","","","","has coordinates","291644","2024-05-05","03:04:46",""
"7715447","29.4455","0.0008","11.1947","0.0003","14.2083","0.0003","90","","90","","90","","4683.5","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","Cd-5TIA-X","","","- C34 H26 Cd2 N9 O14 -","- C34 H26 Cd2 N9 O14 -","- C136 H104 Cd8 N36 O56 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.0554","0.046","","","0.1293","0.1381","","","","","","1.097","","","","has coordinates","291644","2024-05-05","03:04:46",""
"7715578","11.1518","0.0006","8.1187","0.0004","17.1581","0.001","90","","90","","90","","1553.46","0.15","101","2","101","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Ce F I5 O15 Rb2 -","- Ce F I5 O15 Rb2 -","- Ce4 F4 I20 O60 Rb8 -","4","0.5","","Grigorieva, Oksana P.; Shatalova, Tatiana B.; Kuznetsov, Alexey N.; Berdonosov, Peter S.; Stefanovich, Sergey Yu; Lyssenko, Konstantin A.; Dolgikh, Valery A.","New iodate fluoride Rb<sub>2</sub>Ce(IO<sub>3</sub>)<sub>5</sub>F with nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7367","7375","10.1039/d4dt00431k","","","0.71073","MoKα","","0.0415","0.0391","","","0.0866","0.0896","","","","","","0.97","","","","has coordinates","291618","2024-05-05","02:44:57",""
"8000501","13.826","0.002","17.372","0.005","5.0259","0.001","90","","90","","90","","1207.1","0.5","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","TON_BNHx","","","- C0.28 N1.68 O24 Si12 -","- C0.28 N1.68 O24 Si12 -","- C0.56 N3.36 O48 Si24 -","2","0.25","","Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien","Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.","The journal of physical chemistry letters","2021","12","21","5059","5063","10.1021/acs.jpclett.1c00965","powder diffraction","","0.4957","synchrotron","","","","","","","","","2.7412","","","","","","","","has coordinates","265766","2021-06-04","01:05:42",""
"8000544","17.7247","0.001","7.665","0.0004","9.7505","0.0005","90","","90","","90","","1324.7","0.12","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- F4 H2 K2 O12 S3 Zn3 -","- F4 H2 K2 O12 S3 Zn3 -","- F16 H8 K8 O48 S12 Zn12 -","4","0.5","","Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua","Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>.","The journal of physical chemistry letters","2021","12","34","8280","8284","10.1021/acs.jpclett.1c01533","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","268475","2021-09-04","02:07:17",""
"8100308","5.7431","0.0005","8.5283","0.001","9.0943","0.001","90","","90","","90","","445.43","0.08","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C Al4 N3 O -","- C Al4 N3 O -","- C4 Al16 N12 O4 -","4","0.5","","Zhang, F.X.; Tanaka, T.","Crystal structure of tetraaluminium trinitride carbide oxide, Al~4~N~3~CO","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","27","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100669","15.1084","0.0006","8.6434","0.0004","13.479","0.0004","90","","90","","90","","1760.19","0.12","150","0.1","150","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H22 F6 Ru -","- C18 H22 F6 Ru -","- C72 H88 F24 Ru4 -","4","0.5","","Ernst, Richard D.; Trakarnpruk, Wimonrat; Arif, Atta M.","Refinement of the crystal structure of (1-ethyl-2,3,4,5- tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl] ruthenium(II), C~18~H~22~F~6~Ru, at 150 K","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101065","12.233","0.0003","18.504","0.0008","16.306","0.0007","90","","90","","90","","3691","0.2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H56 Cl2 Cu2 N6 O12 -","- C21 H30 Cl2 Cu2 N6 O12 -","- C84 H120 Cl8 Cu8 N24 O48 -","4","0.5","","Kaizer, József; Pap, József; Speier, Gábor; Réglier, Marius; Michel, Giorgi","Crystal structure of {(μ-carbonato)bis[3,3'-iminobis(N,N-dimethylpropyl- amine)]copper(II)} diperchlorate hydrate, [(Cu(idpa))~2~(CO~3~)](ClO~4~) ~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","519","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101271","19","0.004","14.383","0.003","7.907","0.002","90","","90","","90","","2160.8","0.8","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C24 H34 N2 Ti -","- C24 H34 N2 Ti -","- C96 H136 N8 Ti4 -","4","0.5","","Spannenberg, Anke; Zippel, Thorsten; Rosenthal, Uwe","Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl) diazabuta-1,3-diene, C~24~H~34~N~2~Ti","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","365","366","","","","","","","","0.0294","","","0.0642","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101539","33.619","0.007","7.8195","0.0012","7.7282","0.0013","90","","90","","90","","2031.6","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H20 Cl4 N2 Pb -","- C14 H20 Cl4 N2 Pb -","- C56 H80 Cl16 N8 Pb4 -","4","0.5","","Braun, Markus; Frey, Wolfgang","Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~) ~2~PbCl~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","331","332","","","","","","","","0.0213","","","0.0544","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103600","9.634","","5.481","","4.843","","90","","90","","90","","255.73","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Li2 (Ge O3)","","- Ge Li2 O3 -","- Ge Li2 O3 -","- Ge4 Li8 O12 -","4","0.5","","Voellenkle, H.","Verfeinerung der Kristallstrukturen von Li2 Si O3 und Li2 Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1981","154","","77","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103946","10.712","","11.289","","7.7052","","90","","90","","90","","931.773","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K3 (Sb S4)","","- K3 S4 Sb -","- K3 S4 Sb -","- K12 S16 Sb4 -","4","0.5","","Bensch, W.; Duerichen, P.","Crystal structure of a new modification of potassium tetrathioantimonate, beta-K3SbS4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8105548","14.463","0.003","9.78","0.005","10.848","0.004","90","","90","","90","","1534.4","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H18 N0 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","0.5","","Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli","Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","79","80","10.1515/ncrs-2018-0183","","","0.71073","MoKα","","0.0458","0.0416","","","0.105","0.1132","","","","","","1.067","","","","has coordinates","276316","2022-06-28","09:14:10",""
"8106106","12.915","0.003","10.784","0.003","6.8037","0.0018","90","","90","","90","","947.6","0.4","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Cl2 Cu N4 -","- C6 H8 Cl2 Cu N4 -","- C24 H32 Cl8 Cu4 N16 -","4","0.5","","Zhang, Hong","Crystal structure of catena-poly[chlorido-(μ2-chlorido)-bis(imidazole-κN)copper(II)] C6H8Cl2CuN4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","223","224","10.1515/ncrs-2017-0230","","","0.71073","MoKα","","0.0458","0.0368","","","0.0857","0.0905","","","","","","1.054","","","","has coordinates,has disorder","279310","2022-11-16","08:41:52",""
"9001104","8.7135","","15.268","","4.5683","","90","","90","","90","","607.756","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Downs, J. W.; Ross, F. K.","Neutron-diffraction study of bertrandite Note: O2y has been corrected","American Mineralogist","1987","72","","979","983","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001689","3.6389","","16.311","","11.829","","90","","90","","90","","702.1","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","Hillebrandite","- Ca3 H2 O7.5 Si1.5 -","- Ca3 H2 O7.5 Si1.5 -","- Ca12 H8 O30 Si6 -","4","0.5","","Dai, Y. S.; Post, J. E.","Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement","American Mineralogist","1995","80","","841","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9003354","18.096","","20.473","","7.515","","90","","90","","90","","2784.15","","","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","Mordenite","- Al1.956 Ca0.466 H34 K0.24 Na0.69 O31.18 Si10.044 -","- Al1.956 Ca0.466 H14.36 K0.24 Na0.69 O31.18 Si10.044 -","- Al7.824 Ca1.864 H57.44 K0.96 Na2.76 O124.72 Si40.176 -","4","0.5","","Simoncic, P.; Armbruster, T.","Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: natural","American Mineralogist","2004","89","","421","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:14",""
"9003355","18.131","","20.507","","7.5221","","90","","90","","90","","2796.81","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","Mordenite","- Al1.5 H30 Na1.37 O28.86 Si10.5 -","- Al1.5 H9.72 Na1.37 O28.86 Si10.5 -","- Al6 H38.88 Na5.48 O115.44 Si42 -","4","0.5","","Simoncic, P.; Armbruster, T.","Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: synthetic","American Mineralogist","2004","89","","421","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005793","8.7135","","15.268","","4.5683","","90","","90","","90","","607.756","","","","","","","","100","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005794","8.641","","15.051","","4.5338","","90","","90","","90","","589.646","","","","","","","","2300000","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 23 kbar Note: x-coordinate of O2 altered","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005795","8.587","","14.912","","4.5901","","90","","90","","90","","587.759","","","","","","","","4100000","","","","","4","C m c 21","C 2c -2","36","","","Bertrandite","- Be4 H2 O9 Si2 -","- Be4 H2 O9 Si2 -","- Be16 H8 O36 Si8 -","4","0.5","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 41 kbar Note: y-coordinate of O3 altered","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007510","7.873","","12.467","","8.583","","90","","90","","90","","842.445","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","Stephanite","- Ag5 S4 Sb -","- Ag5 S4 Sb -","- Ag20 S16 Sb4 -","4","0.5","","Ribar, B.; Nowacki, W.","Die kristallstruktur von stephanit, [SbS3|S|Ag5]","Acta Crystallographica, Section B","1970","26","","201","207","10.1107/S0567740870002157","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007740","3.7777","","26.6067","","5.429","","90","","90","","90","","545.68","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Na2 O7 W2 -","- Na2 O7 W2 -","- Na8 O28 W8 -","4","0.5","","Range, K. J.; Haase, H.","Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI)","Acta Crystallographica, Section C","1990","46","","317","318","10.1107/S0108270189006104","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007849","2.9471","","10.593","","5.2564","","90","","90","","90","","164.098","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","Spertiniite","- Cu H2 O2 -","- Cu H2 O2 -","- Cu4 H8 O8 -","4","0.5","","Oswald, H. R.; Reller, A.; Schmalle, H. W.; Dubler, E.","Structure of copper(II) hydroxide, Cu(OH)2","Acta Crystallographica, Section C","1990","46","","2279","2284","10.1107/S0108270190006230","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007959","9.6673","","11.9122","","5.8846","","90","","90","","90","","677.664","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Huang, F. Q.; Ibers, J. A.","Na3VOS3","Acta Crystallographica, Section E","2004","60","","i6","i7","10.1107/S1600536803028939","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008262","5.044","","8.809","","12.743","","90","","90","","90","","566.205","","","","","","","","","","","","Oldoinyo Lengai, Tanzania","5","C m c 21","C 2c -2","36","","","Nyerereite","- C2 Ca K0.36 Na1.64 O3 -","- C2 Ca K0.36 Na1.64 O3 -","- C8 Ca4 K1.44 Na6.56 O12 -","4","0.5","","McKie, D.; Frankis, E. J.","Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania","Zeitschrift fur Kristallographie","1977","145","","73","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009749","5.243","","10.028","","5.29","","90","","90","","90","","278.131","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Mg O3 V -","- Mg O3 V -","- Mg4 O12 V4 -","4","0.5","","Bouloux, J. C.; Milosevic, I.; Galy, J.","Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3","Journal of Solid State Chemistry","1976","16","","393","398","10.1016/0022-4596(76)90056-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010003","10.8568","","6.2682","","5.034","","90","","90","","90","","342.577","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","Nickeline","- As Ni -","- As Ni -","- As12 Ni12 -","12","1.5","","Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C.","The crystal structure of nickel arsenide Note: room temperature, solution 1","Journal of Physics C: Solid State Physics","1988","21","","4007","4015","10.1088/0022-3719/21/22/016","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010004","10.8568","","6.2682","","5.034","","90","","90","","90","","342.577","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","Nickeline","- As Ni -","- As Ni -","- As12 Ni12 -","12","1.5","","Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C.","The crystal structure of nickel arsenide Note: room temperature, solution 2","Journal of Physics C: Solid State Physics","1988","21","","4007","4015","10.1088/0022-3719/21/22/016","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010121","2.7143","","8.393","","6.846","","90","","90","","90","","155.96","","","","","","","","54000000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B.","Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa","American Mineralogist","2006","91","","1703","1706","10.2138/am.2006.2308","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010358","3.13642","","9.88337","","7.29891","","90","","90","","90","","226.255","","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.5","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 293 K","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010359","3.1345","","9.87576","","7.29521","","90","","90","","90","","225.827","","","","2","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.5","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 2.0 K","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010360","3.101","","9.6588","","7.2111","","90","","90","","90","","215.986","","","","","","","","9720000","","","","","3","C m c 21","C 2c -2","36","","","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.5","","Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.","High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: P = 9.72 GPa, room temp","American Mineralogist","2007","92","","1912","1918","10.2138/am.2007.2585","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011275","4.059","","6.617","","7.967","","90","","90","","90","","213.981","","","","298","","","","","","","","Gowganda, Ontario, Canada","3","C m c 21","C 2c -2","36","","","Stromeyerite","- Ag Cu S -","- Ag Cu S -","- Ag4 Cu4 S4 -","4","0.5","","Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S.","A low-temperature structural phase transformation in CuAgS Sample: T = 298 K","Acta Crystallographica, Section B","1991","47","6","891","899","10.1107/S0108768191008340","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011370","10.444","","18.01799","","6.291","","90","","90","","90","","1183.84","","","","","","","","","","","","Nlende, Kribi, Cameroon","6","C m c 21","C 2c -2","36","","","Remondite-(Ce)","- C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 -","- C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 -","- C20 Ca4.6 Ce4.88 Na13.6 O60 Sr0.96 -","4","0.5","","Marsh, R. E.","Structure of Na3M3(CO3)5. Corrigendum","Acta Crystallographica, Section C","1989","45","","1840","1840","10.1107/S0108270189005718","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011923","7.485","","15.453","","11.418","","90","","90","","90","","1320.67","","","","","","","","","","","","Synthetic","4","C m c 21","C 2c -2","36","","","Epididymite-potassian","- Be2 K2 O15 Si6 -","- Be2 K2 O15 Si6 -","- Be8 K8 O60 Si24 -","4","0.5","","Naumova, I. S.; Pobedimskaya, E. A.; Pushcharovskii D Yu; Belov, N. V.; Altukhova Yu, N.","Crystal structure of synthetic K2Be2Si6O15 of the epidimite group Note: c-cell edge altered to reproduce bond lengths","Doklady Akademii Nauk SSSR","1976","229","","856","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012381","3.245","","16.844","","6.576","","90","","90","","90","","359.436","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- As Pd2 -","- As Pd2 -","- As8 Pd16 -","8","1","","Balz, U.; Schubert, K.","Kristallstruktur von Pd2As(r) und Pd2Sb","Journal of the Less-Common Metals","1969","19","","300","304","10.1016/0022-5088(69)90111-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012532","8.843","","5.473","","4.835","","90","","90","","90","","234.003","","","","","","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","","","Sinoite","- N2 O Si2 -","- N2 O Si2 -","- N8 O4 Si8 -","4","0.5","","Idrestedt, I.; Brosset, C.","Structure of Si2N2O","Acta Chemica Scandinavica","1964","18","","1879","1886","10.3891/acta.chem.scand.18-1879","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012756","5.6152","","9.7264","","8.8241","","90","","90","","90","","481.934","","","","","","","","","","","","Theoretical structure","3","C m c 21","C 2c -2","36","","","Akdalaite","- Al5 H O8 -","- Al5 H O8 -","- Al20 H4 O32 -","4","0.5","","Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R.","Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,","Journal of Physics: Conference Series","2008","117","","012013","012013","10.1088/1742-6596/117/1/012013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012856","8.707","","7.203","","10.662","","90","","90","","90","","668.684","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","Polarite","- Bi Pd -","- Bi Pd -","- Bi16 Pd16 -","16","2","","Zhuravlev, N. N.","Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic","Soviet Journal of Experimental and Theoretical Physics","1957","5","","1064","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013386","5.7168","","15.023","","7.675","","90","","90","","90","","659.156","","","","","","","","","","","","Mount Safford, central Australia","4","C m c 21","C 2c -2","36","","","Boromullite","- Al4.5 B0.5 O9.5 Si -","- Al4.5 B0.5 O9.5 Si -","- Al18 B2 O38 Si4 -","4","0.5","","Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G.","Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic ""boron-mullite"" Locality: Mount Safford, central Australia","European Journal of Mineralogy","2008","20","","935","950","10.1127/0935-1221/2008/0020-1809","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013429","7.8329","","12.458","","8.5272","","90","","90","","90","","832.104","","","","","","","","","","","","Freiberg District, Saxony, Germany","3","C m c 21","C 2c -2","36","","","Stephanite","- Ag5 S4 Sb -","- Ag5 S4 Sb -","- Ag20 S16 Sb4 -","4","0.5","","Leitl, M.; Pfitzner, A.; Bindi, L.","Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009","Mineralogical Magazine","2009","73","","17","26","10.1180/minmag.2009.073.1.17","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013782","2.989","","16.97","","14.812","","90","","90","","90","","751.314","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","Montetrisaite","- Cu3 H7.3 O8 S0.5 -","- Cu3 O8 S0.5 -","- Cu12 O32 S2 -","4","0.5","","Orlandi, P.; Bonaccorsi, E.","Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy Locality: Monte Trisa, Vicenza, Italy","The Canadian Mineralogist","2009","47","","143","151","10.3749/canmin.47.1.143","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9014041","23.801","","5.9238","","4.8479","","90","","90","","90","","683.517","","","","","","","","","","","","Synthetic","2","C m c 21","C 2c -2","36","","","","- Ni7 P7 -","- Ni28 P28 -","- Ni28 P28 -","","","","Dera, P.; Lazarz, J. D.; Lavina, B.","Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa","Journal of Solid State Chemistry","2011","184","","1997","2003","10.1016/j.jssc.2011.05.050","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015251","10.5384","","10.7452","","5.7577","","90","","90","","90","","651.986","","","","","","","","","","","","Tsumeb, Namibia","3","C m c 21","C 2c -2","36","","","Plumboselite","- O5 Pb3 Se -","- O20 Pb12 Se4 -","- O20 Pb12 Se4 -","","","","Kampf, A. R.; Mills, S. J.; Pinch, W. W.","Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia","Mineralogy and Petrology","2011","101","","75","80","10.1007/s00710-010-0137-3","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016993","2.64","","8.596","","9.04","","90","","90","","90","","205.149","","","","","","","","58200000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9016994","2.591","","8.726","","8.794","","90","","90","","90","","198.824","","","","","","","","58200000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9017155","2.989","","16.97","","14.812","","90","","90","","90","","751.314","","","","","","","","","","","","Monte Trisa, Vicenza, Italy","4","C m c 21","C 2c -2","36","","","Montetrisaite","- Cu3 H7 O8 S0.5 -","- Cu3 H7 O8 S0.5 -","- Cu12 H28 O32 S2 -","4","0.5","","Orlandi, P.; Bonaccorsi, E.","Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy","The Canadian Mineralogist","2009","47","","143","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017380","2.876","","12.24","","3.709","","90","","90","","90","","130.565","","","","","","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","","","Bohmite","- Al H O2 -","- Al4 H4 O8 -","- Al4 H4 O8 -","","","","Christensen, A. N.; Lehmann, M. S.; Convert, P.","Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)","Acta Chemica Scandinavica A","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017382","3.07","","12.53","","3.876","","90","","90","","90","","149.098","","","","","","","","","","","","Synthetic","3","C m c 21","C 2c -2","36","","","Lepidocrocite","- Fe H O2 -","- Fe4 H4 O8 -","- Fe4 H4 O8 -","","","","Christensen, A. N.; Lehmann, M. S.; Convert, P.","Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)","Acta Chemica Scandinavica A","1982","36","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""